5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide

C22H26N4O2 — CID 24759282

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C(C)(C)O)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C22H26N4O2/c1-21(2)9-7-14(8-10-21)17-11-15(22(3,4)28)5-6-18(17)26-20(27)19-24-13-16(12-23)25-19/h5-7,11,13,28H,8-10H2,1-4H3,(H,24,25)(H,26,27)
InChIKeyWHJBTHUQFJGHKS-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.35
Rot. Bonds4

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24759282) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24759282
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C(C)(C)O)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C22H26N4O2/c1-21(2)9-7-14(8-10-21)17-11-15(22(3,4)28)5-6-18(17)26-20(27)19-24-13-16(12-23)25-19/h5-7,11,13,28H,8-10H2,1-4H3,(H,24,25)(H,26,27)
InChIKeyWHJBTHUQFJGHKS-UHFFFAOYSA-N
XLogP4.35
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)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-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide (CID 24759282) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2cc(C(C)(C)O)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is WHJBTHUQFJGHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-21(2)9-7-14(8-10-21)17-11-15(22(3,4)28)5-6-18(17)26-20(27)19-24-13-16(12-23)25-19/h5-7,11,13,28H,8-10H2,1-4H3,(H,24,25)(H,26,27).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).