N-(4-phenylcyclohexyl)imidazole-1-carboxamide

C16H19N3O — CID 81257713

IUPACN-(4-phenylcyclohexyl)imidazole-1-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)n1ccnc1
InChIInChI=1S/C16H19N3O/c20-16(19-11-10-17-12-19)18-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-12,14-15H,6-9H2,(H,18,20)
InChIKeyLSGYTTNDUXZFQS-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.17
Rot. Bonds2

About N-(4-phenylcyclohexyl)imidazole-1-carboxamide

N-(4-phenylcyclohexyl)imidazole-1-carboxamide (PubChem CID 81257713) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(4-phenylcyclohexyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-phenylcyclohexyl)imidazole-1-carboxamide
PubChem CID81257713
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(4-phenylcyclohexyl)imidazole-1-carboxamide
SMILESO=C(NC1CCC(c2ccccc2)CC1)n1ccnc1
InChIInChI=1S/C16H19N3O/c20-16(19-11-10-17-12-19)18-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-12,14-15H,6-9H2,(H,18,20)
InChIKeyLSGYTTNDUXZFQS-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylcyclohexyl)imidazole-1-carboxamide?
The IUPAC name of N-(4-phenylcyclohexyl)imidazole-1-carboxamide (CID 81257713) is N-(4-phenylcyclohexyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(4-phenylcyclohexyl)imidazole-1-carboxamide?
The canonical SMILES for N-(4-phenylcyclohexyl)imidazole-1-carboxamide is O=C(NC1CCC(c2ccccc2)CC1)n1ccnc1.
What is the InChIKey of N-(4-phenylcyclohexyl)imidazole-1-carboxamide?
The InChIKey is LSGYTTNDUXZFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(19-11-10-17-12-19)18-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-5,10-12,14-15H,6-9H2,(H,18,20).
What are the key properties of N-(4-phenylcyclohexyl)imidazole-1-carboxamide?
N-(4-phenylcyclohexyl)imidazole-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylcyclohexyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).