N-cyclohexyl-1H-imidazole-1-carboxamide

• ChemBase ID: 280985
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: n1(C(=O)NC2CCCCC2)cncc1
• Canonical SMILES: O=C(n1cncc1)NC1CCCCC1
• InChI: InChI=1S/C10H15N3O/c14-10(13-7-6-11-8-13)12-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,12,14)
• InChIKey: NXJIYCANKQQFTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-1H-imidazole-1-carboxamide
• IUPAC Traditional name: N-cyclohexylimidazole-1-carboxamide
• Synonyms: N-cyclohexyl-1H-imidazole-1-carboxamide

Database IDs

• MDL Number: MFCD01175643
• PubChem SID: 180666516
• PubChem CID: 39871275

CALCULATED PROPERTIES

• Acid pKa: 15.425593
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.86340815
• LogD (pH = 7.4): 0.8639787
• Log P: 0.86398596
• Molar Refractivity: 52.8707 cm^3
• Polarizability: 20.497751 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.488

Product Information

• Purity: 95%