5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide

C21H24N4O2 — CID 24759283

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC(C)(O)Cc1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCCCC2)c1
InChIInChI=1S/C21H24N4O2/c1-21(2,27)11-14-8-9-18(17(10-14)15-6-4-3-5-7-15)25-20(26)19-23-13-16(12-22)24-19/h6,8-10,13,27H,3-5,7,11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyDFIDHIDWEMCQMU-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.80
Rot. Bonds5

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24759283) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24759283
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC(C)(O)Cc1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCCCC2)c1
InChIInChI=1S/C21H24N4O2/c1-21(2,27)11-14-8-9-18(17(10-14)15-6-4-3-5-7-15)25-20(26)19-23-13-16(12-22)24-19/h6,8-10,13,27H,3-5,7,11H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyDFIDHIDWEMCQMU-UHFFFAOYSA-N
XLogP3.80
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide (CID 24759283) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide is CC(C)(O)Cc1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCCCC2)c1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is DFIDHIDWEMCQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,27)11-14-8-9-18(17(10-14)15-6-4-3-5-7-15)25-20(26)19-23-13-16(12-22)24-19/h6,8-10,13,27H,3-5,7,11H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-hydroxy-2-methylpropyl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).