4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(1H-1,2,3,4-tetrazol-5-yl)ethyl]benzamide

• ChemBase ID: 818534
• Molecular Formular: C14H17N7O2
• Molecular Mass: 315.33048
• Monoisotopic Mass: 315.14437282
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NC(c2nnn[nH]2)C)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NC(c1nnn[nH]1)C
• InChI: InChI=1S/C14H17N7O2/c1-8-3-4-10(7-11(8)21-6-5-15-14(21)23)13(22)16-9(2)12-17-19-20-18-12/h3-4,7,9H,5-6H2,1-2H3,(H,15,23)(H,16,22)(H,17,18,19,20)
• InChIKey: ICRDFNFZXALDMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(1H-1,2,3,4-tetrazol-5-yl)ethyl]benzamide
• IUPAC Traditional name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(1H-1,2,3,4-tetrazol-5-yl)ethyl]benzamide
• Synonyms: 4-methyl-3-(2-oxo-1-imidazolidinyl)-N-[1-(1H-tetrazol-5-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.046057
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.236134
• LogD (pH = 7.4): -1.600584
• Log P: 0.0035592252
• Molar Refractivity: 85.3517 cm^3
• Polarizability: 30.500761 Å^3
• Polar Surface Area: 115.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.95
• LOG S: -2.0
• Polar Surface Area: 115.9 Å^2
• Rotatable Bonds: 4