5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide

C23H26N4O4S — CID 71157223

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCS(=O)(=O)C1(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CCOCC1
InChIInChI=1S/C23H26N4O4S/c1-32(29,30)23(9-11-31-12-10-23)17-7-8-20(19(13-17)16-5-3-2-4-6-16)27-22(28)21-25-15-18(14-24)26-21/h5,7-8,13,15H,2-4,6,9-12H2,1H3,(H,25,26)(H,27,28)
InChIKeyPWXLKXFMJCTNML-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.54
Rot. Bonds5

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 71157223) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID71157223
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCS(=O)(=O)C1(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CCOCC1
InChIInChI=1S/C23H26N4O4S/c1-32(29,30)23(9-11-31-12-10-23)17-7-8-20(19(13-17)16-5-3-2-4-6-16)27-22(28)21-25-15-18(14-24)26-21/h5,7-8,13,15H,2-4,6,9-12H2,1H3,(H,25,26)(H,27,28)
InChIKeyPWXLKXFMJCTNML-UHFFFAOYSA-N
XLogP3.54
TPSA124.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-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

Related Compounds

4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid
CID 58994935
N-[4-bromo-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 24759611
5-cyano-N-[2-(cyclohexen-1-yl)-4-[2-(methanesulfonamido)-1,3-diazinan-5-yl]phenyl]-1H-imidazole-2-carboxamide
CID 140651560
methyl 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxane-4-carboxylate
CID 24874643
3-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid
CID 24874798
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 24785380
5-cyano-N-[2-(cyclohexen-1-yl)-4-pyridin-2-ylphenyl]-1H-imidazole-2-carboxamide
CID 24759173
N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 58994982
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-piperazin-1-yloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 86616012
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(3-morpholin-4-ylpropanoyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11692059
N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 24759169
3-[4-[(5-carbamoyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;3-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid
CID 158889547

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide (CID 71157223) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide is CS(=O)(=O)C1(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CCOCC1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is PWXLKXFMJCTNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-32(29,30)23(9-11-31-12-10-23)17-7-8-20(19(13-17)16-5-3-2-4-6-16)27-22(28)21-25-15-18(14-24)26-21/h5,7-8,13,15H,2-4,6,9-12H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(4-methylsulfonyloxan-4-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71157223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).