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

C24H28N4O2 — CID 24826456

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3(O)CCCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C24H28N4O2/c1-23(2)11-7-16(8-12-23)19-13-17(24(30)9-3-4-10-24)5-6-20(19)28-22(29)21-26-15-18(14-25)27-21/h5-7,13,15,30H,3-4,8-12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyUUMTZTDBNOXQLG-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.89
Rot. Bonds4

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

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24826456) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24826456
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3(O)CCCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIInChI=1S/C24H28N4O2/c1-23(2)11-7-16(8-12-23)19-13-17(24(30)9-3-4-10-24)5-6-20(19)28-22(29)21-26-15-18(14-25)27-21/h5-7,13,15,30H,3-4,8-12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyUUMTZTDBNOXQLG-UHFFFAOYSA-N
XLogP4.89
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 11555179
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CID 24783104
CID 24783104
CID 24783357
CID 24783357
CID 24874883
CID 24874883
CID 24875260
CID 24875260
CID 58994369
CID 58994369
CID 58994517
CID 58994517
CID 58994593
CID 58994593
CID 11517292
CID 11517292
CID 11524843
CID 11524843
CID 11574082
CID 11574082

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide (CID 24826456) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2cc(C3(O)CCCC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is UUMTZTDBNOXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-23(2)11-7-16(8-12-23)19-13-17(24(30)9-3-4-10-24)5-6-20(19)28-22(29)21-26-15-18(14-25)27-21/h5-7,13,15,30H,3-4,8-12H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.89, 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-(1-hydroxycyclopentyl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24826456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).