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

C22H25N5O2 — CID 24758273

IUPAC5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-22(2)9-7-14(8-10-22)17-11-15(21(29)27(3)4)5-6-18(17)26-20(28)19-24-13-16(12-23)25-19/h5-7,11,13H,8-10H2,1-4H3,(H,24,25)(H,26,28)
InChIKeyDDWDFHLQVFUKSL-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.83
Rot. Bonds4

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

5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24758273) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24758273
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-22(2)9-7-14(8-10-22)17-11-15(21(29)27(3)4)5-6-18(17)26-20(28)19-24-13-16(12-23)25-19/h5-7,11,13H,8-10H2,1-4H3,(H,24,25)(H,26,28)
InChIKeyDDWDFHLQVFUKSL-UHFFFAOYSA-N
XLogP3.83
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-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-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide (CID 24758273) is 5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide is CN(C)C(=O)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1.
What is the InChIKey of 5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is DDWDFHLQVFUKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-22(2)9-7-14(8-10-22)17-11-15(21(29)27(3)4)5-6-18(17)26-20(28)19-24-13-16(12-23)25-19/h5-7,11,13H,8-10H2,1-4H3,(H,24,25)(H,26,28).
What are the key properties of 5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-(dimethylcarbamoyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24758273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).