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N-[4-(2-{4-[(dimethylamino)methyl]thiophen-2-yl}-1H-imidazol-1-yl)phenyl]acetamide

ChemBase ID: 866153
Molecular Formular: C18H20N4OS
Molecular Mass: 340.4426
Monoisotopic Mass: 340.13578228
SMILES and InChIs

SMILES:
c1(n(c2ccc(NC(=O)C)cc2)ccn1)c1scc(c1)CN(C)C
Canonical SMILES:
CN(Cc1csc(c1)c1nccn1c1ccc(cc1)NC(=O)C)C
InChI:
InChI=1S/C18H20N4OS/c1-13(23)20-15-4-6-16(7-5-15)22-9-8-19-18(22)17-10-14(12-24-17)11-21(2)3/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKey:
XSWBFGZTVFINPD-UHFFFAOYSA-N

Cite this record

CBID:866153 http://www.chembase.cn/molecule-866153.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(2-{4-[(dimethylamino)methyl]thiophen-2-yl}-1H-imidazol-1-yl)phenyl]acetamide
IUPAC Traditional name
N-[4-(2-{4-[(dimethylamino)methyl]thiophen-2-yl}imidazol-1-yl)phenyl]acetamide
Synonyms
N-[4-(2-{4-[(dimethylamino)methyl]-2-thienyl}-1H-imidazol-1-yl)phenyl]acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.831953  H Acceptors
H Donor LogD (pH = 5.5) -0.19653964 
LogD (pH = 7.4) 1.6450034  Log P 2.7174358 
Molar Refractivity 119.4036 cm3 Polarizability 38.278652 Å3
Polar Surface Area 50.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.65  LOG S -3.95 
Polar Surface Area 50.16 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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