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

C28H27N5O — CID 23581461

IUPAC1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc(-c3cccnc3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C2CCCC2)c1
InChIInChI=1S/C28H27N5O/c1-18-7-5-8-19(15-18)25-26(31-27(30-25)21-9-6-14-29-17-21)20-12-13-23-24(16-20)32(2)28(34)33(23)22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H,30,31)
InChIKeyMXJXDISNANTNIV-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.88
Rot. Bonds4

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

1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one (PubChem CID 23581461) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
PubChem CID23581461
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC Name1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc(-c3cccnc3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C2CCCC2)c1
InChIInChI=1S/C28H27N5O/c1-18-7-5-8-19(15-18)25-26(31-27(30-25)21-9-6-14-29-17-21)20-12-13-23-24(16-20)32(2)28(34)33(23)22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H,30,31)
InChIKeyMXJXDISNANTNIV-UHFFFAOYSA-N
XLogP5.88
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581450
3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one
CID 23581491
5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride
CID 22063817
2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid
CID 23581511
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
[5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea
CID 23581563
3-cyclopentyl-5-methyl-12-[3-methyl-4-[methyl-(methylideneamino)amino]phenyl]-11-pyridin-3-yl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 167085382
5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 23581526
5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
CID 23581660
5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one
CID 23581658

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The IUPAC name of 1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one (CID 23581461) is 1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one.
What is the SMILES notation for 1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The canonical SMILES for 1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one is Cc1cccc(-c2nc(-c3cccnc3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The InChIKey is MXJXDISNANTNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-18-7-5-8-19(15-18)25-26(31-27(30-25)21-9-6-14-29-17-21)20-12-13-23-24(16-20)32(2)28(34)33(23)22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H,30,31).
What are the key properties of 1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one?
1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one has a molecular weight of 449.56 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one is sourced from PubChem (CID 23581461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).