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

C24H30N4O3 — CID 118650296

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CCC(c2cc(C3(O)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C24H30N4O3/c1-23(2)7-5-16(6-8-23)19-13-17(24(30)9-11-31-12-10-24)3-4-20(19)28-22(29)21-26-15-18(14-25)27-21/h3-4,13,15-16,30H,5-12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyCNGXMHPIGAKLRM-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.22
Rot. Bonds4

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

5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 118650296) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID118650296
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CCC(c2cc(C3(O)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C24H30N4O3/c1-23(2)7-5-16(6-8-23)19-13-17(24(30)9-11-31-12-10-24)3-4-20(19)28-22(29)21-26-15-18(14-25)27-21/h3-4,13,15-16,30H,5-12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyCNGXMHPIGAKLRM-UHFFFAOYSA-N
XLogP4.22
TPSA111.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
CID 16755735
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylpropan-2-yl)phenyl]-1H-imidazole-2-carboxamide
CID 24874885
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-imidazole-2-carboxamide
CID 24875222
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
CID 58994369
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(1,3-dihydroxypropan-2-yl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11577079
4-[(4-cyano-1H-imidazole-2-carbonyl)-amino]-3-(4,4-dimethyl-cyclohex-1-enyl)-benzoic acid
CID 24758272
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide
CID 24758274
4-Cyano-1H-imidazole-2-carboxylic acid [2-(4,4-dimethyl-cyclohex-1-enyl)-4-(1-hydroxy-1-methyl-ethyl)phenyl]-amide
CID 24759282
4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2-hydroxy-2-methyl-propyl)-phenyl]-amide
CID 24759283
5-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2-hydroxy-ethyl)-phenyl]-amide
CID 24759285
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide
CID 24759286
4-Cyano-1H-imidazole-2-carboxylic acid {2-(4,4-dimethyl-cyclohex-1-enyl)-4-[1-methyl-1-(2-morpholin-4-yl-ethoxy)-ethyl]-phenyl}-amide
CID 24875263

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide (CID 118650296) is 5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide is CC1(C)CCC(c2cc(C3(O)CCOCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is CNGXMHPIGAKLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-23(2)7-5-16(6-8-23)19-13-17(24(30)9-11-31-12-10-24)3-4-20(19)28-22(29)21-26-15-18(14-25)27-21/h3-4,13,15-16,30H,5-12H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexyl)-4-(4-hydroxyoxan-4-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 118650296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).