4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide

C29H29N3O — CID 24788947

IUPAC4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C3CCCCC3)cc2)cccc1-c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C29H29N3O/c1-20-25(28-30-19-27(31-28)23-11-6-3-7-12-23)13-8-14-26(20)32-29(33)24-17-15-22(16-18-24)21-9-4-2-5-10-21/h3,6-8,11-19,21H,2,4-5,9-10H2,1H3,(H,30,31)(H,32,33)
InChIKeyKPIPNVDDBKMDEV-UHFFFAOYSA-N
MW435.57 g/mol
LogP7.35
Rot. Bonds5

About 4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide

4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide (PubChem CID 24788947) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
PubChem CID24788947
Molecular FormulaC29H29N3O
Molecular Weight435.57 g/mol
Exact Mass435.23
IUPAC Name4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C3CCCCC3)cc2)cccc1-c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C29H29N3O/c1-20-25(28-30-19-27(31-28)23-11-6-3-7-12-23)13-8-14-26(20)32-29(33)24-17-15-22(16-18-24)21-9-4-2-5-10-21/h3,6-8,11-19,21H,2,4-5,9-10H2,1H3,(H,30,31)(H,32,33)
InChIKeyKPIPNVDDBKMDEV-UHFFFAOYSA-N
XLogP7.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
N-(4-cyclohexylphenyl)benzamide
CID 10333838
N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 24788668
2-[(4-cyclopropylbenzoyl)amino]benzoic acid
CID 126822246
N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-4-cyclohexylbenzamide
CID 68537128
2,5-diphenyl-1H-imidazole;2-methylbenzene-1,3-dicarboxylic acid
CID 174426614
4-cyclohexyl-N-(5-hydroxy-2-pyridinyl)benzamide
CID 135137479
4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid
CID 174448388
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
N-[3-[2-amino-6-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]-4-cyclopropylbenzamide
CID 90008324
4-chloro-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;hydrochloride
CID 162317763
4-[4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzoic acid
CID 169204037

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide (CID 24788947) is 4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide is Cc1c(NC(=O)c2ccc(C3CCCCC3)cc2)cccc1-c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
The InChIKey is KPIPNVDDBKMDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O/c1-20-25(28-30-19-27(31-28)23-11-6-3-7-12-23)13-8-14-26(20)32-29(33)24-17-15-22(16-18-24)21-9-4-2-5-10-21/h3,6-8,11-19,21H,2,4-5,9-10H2,1H3,(H,30,31)(H,32,33).
What are the key properties of 4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide?
4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 7.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[2-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 24788947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).