1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one

C29H35N5O — CID 23581450

IUPAC1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc(C3CCNCC3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C2CCCCC2)c1
InChIInChI=1S/C29H35N5O/c1-19-7-6-8-21(17-19)26-27(32-28(31-26)20-13-15-30-16-14-20)22-11-12-24-25(18-22)33(2)29(35)34(24)23-9-4-3-5-10-23/h6-8,11-12,17-18,20,23,30H,3-5,9-10,13-16H2,1-2H3,(H,31,32)
InChIKeyCHNPFEUVKQOCBR-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.68
Rot. Bonds4

About 1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one

1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one (PubChem CID 23581450) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
PubChem CID23581450
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC Name1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc(C3CCNCC3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C2CCCCC2)c1
InChIInChI=1S/C29H35N5O/c1-19-7-6-8-21(17-19)26-27(32-28(31-26)20-13-15-30-16-14-20)22-11-12-24-25(18-22)33(2)29(35)34(24)23-9-4-3-5-10-23/h6-8,11-12,17-18,20,23,30H,3-5,9-10,13-16H2,1-2H3,(H,31,32)
InChIKeyCHNPFEUVKQOCBR-UHFFFAOYSA-N
XLogP5.68
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581461
5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride
CID 22063817
3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one
CID 23581521
N-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)-1,2-oxazol-5-yl]-N-methylsulfonylmethanesulfonamide
CID 23581741
1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one
CID 23581471
N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 23581737
2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid
CID 23581511
[5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea
CID 23581563
4-(4,5-diphenyl-1H-imidazol-2-yl)piperidine
CID 177339626
5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one
CID 23581594
3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one
CID 23581491
1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581439

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The IUPAC name of 1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one (CID 23581450) is 1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one.
What is the SMILES notation for 1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The canonical SMILES for 1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one is Cc1cccc(-c2nc(C3CCNCC3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The InChIKey is CHNPFEUVKQOCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O/c1-19-7-6-8-21(17-19)26-27(32-28(31-26)20-13-15-30-16-14-20)22-11-12-24-25(18-22)33(2)29(35)34(24)23-9-4-3-5-10-23/h6-8,11-12,17-18,20,23,30H,3-5,9-10,13-16H2,1-2H3,(H,31,32).
What are the key properties of 1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one?
1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one has a molecular weight of 469.63 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one is sourced from PubChem (CID 23581450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).