2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile

C23H22N4O3 — CID 58386945

IUPAC2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile
SMILESN#Cc1cnc(C(=O)Cc2ccc(C3CC(=O)NC(=O)C3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C23H22N4O3/c24-12-18-13-25-23(26-18)20(28)9-16-7-6-15(17-10-21(29)27-22(30)11-17)8-19(16)14-4-2-1-3-5-14/h4,6-8,13,17H,1-3,5,9-11H2,(H,25,26)(H,27,29,30)
InChIKeyYFHRNRXGIRZPRG-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.18
Rot. Bonds5

About 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile

2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile (PubChem CID 58386945) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile
PubChem CID58386945
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile
SMILESN#Cc1cnc(C(=O)Cc2ccc(C3CC(=O)NC(=O)C3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C23H22N4O3/c24-12-18-13-25-23(26-18)20(28)9-16-7-6-15(17-10-21(29)27-22(30)11-17)8-19(16)14-4-2-1-3-5-14/h4,6-8,13,17H,1-3,5,9-11H2,(H,25,26)(H,27,29,30)
InChIKeyYFHRNRXGIRZPRG-UHFFFAOYSA-N
XLogP3.18
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-cyano-N-(2-(4,4-dimethylcyclohex-1-enyl)-4-(2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783358
4-cyano-N-(2-cyclohexenyl-4-(2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24785380
4-cyano-N-(2-cyclohexenyl-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 25104233
N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 11524843
4-Cyano-1H-imidazole-2-carboxylic acid [4-(2-carbamoyl-ethyl)-2-cyclohex-1-enyl-phenyl]-amide
CID 24874762
2-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]-N,N-dimethyl-1H-imidazole-5-carboxamide
CID 68288749
4-[1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-imidazol-2-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 68289186
2-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylphenyl]-1H-imidazole-5-carbonitrile
CID 68289216
4-[1-[4-Methyl-3-(2-methyl-1H-imidazol-5-yl)benzoyl]-4-piperidinyl]benzonitrile
CID 90029455
hydrocinnamoyl-Phe(4-CN)-His-NH2
CID 11612280
1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
CID 52943320
1-[(2S)-2-(5-benzyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
CID 52944026

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile?
The IUPAC name of 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile (CID 58386945) is 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile is N#Cc1cnc(C(=O)Cc2ccc(C3CC(=O)NC(=O)C3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile?
The InChIKey is YFHRNRXGIRZPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c24-12-18-13-25-23(26-18)20(28)9-16-7-6-15(17-10-21(29)27-22(30)11-17)8-19(16)14-4-2-1-3-5-14/h4,6-8,13,17H,1-3,5,9-11H2,(H,25,26)(H,27,29,30).
What are the key properties of 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile?
2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile has a molecular weight of 402.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 58386945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).