1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one

C27H34N6O — CID 23581471

IUPAC1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one
SMILESCc1cccc(-c2[nH]nc(NCCN(C)C)c2-c2ccc3c(c2)n(C)c(=O)n3C2CCCC2)c1
InChIInChI=1S/C27H34N6O/c1-18-8-7-9-20(16-18)25-24(26(30-29-25)28-14-15-31(2)3)19-12-13-22-23(17-19)32(4)27(34)33(22)21-10-5-6-11-21/h7-9,12-13,16-17,21H,5-6,10-11,14-15H2,1-4H3,(H2,28,29,30)
InChIKeyJHBRENLWCBUGRR-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.79
Rot. Bonds7

About 1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one

1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one (PubChem CID 23581471) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one
PubChem CID23581471
Molecular FormulaC27H34N6O
Molecular Weight458.61 g/mol
Exact Mass458.28
IUPAC Name1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one
SMILESCc1cccc(-c2[nH]nc(NCCN(C)C)c2-c2ccc3c(c2)n(C)c(=O)n3C2CCCC2)c1
InChIInChI=1S/C27H34N6O/c1-18-8-7-9-20(16-18)25-24(26(30-29-25)28-14-15-31(2)3)19-12-13-22-23(17-19)32(4)27(34)33(22)21-10-5-6-11-21/h7-9,12-13,16-17,21H,5-6,10-11,14-15H2,1-4H3,(H2,28,29,30)
InChIKeyJHBRENLWCBUGRR-UHFFFAOYSA-N
XLogP4.79
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
N-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)-1,2-oxazol-5-yl]-N-methylsulfonylmethanesulfonamide
CID 23581741
1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581461
5-[3-(butylamino)-5-(3-methylphenyl)-1H-pyrazol-4-yl]-1,3-diethylbenzimidazol-2-one
CID 142168745
2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid
CID 23581511
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-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 23581508
5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride
CID 22063817
N-[5-[3-(but-3-enylamino)-5-(3-methylphenyl)-1H-pyrazol-4-yl]-2-[ethyl(methyl)amino]phenyl]-N-ethylformamide
CID 142168727
1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 138020489
1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581439
1,3-dimethyl-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzimidazol-2-one
CID 22063821

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one (CID 23581471) is 1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one is Cc1cccc(-c2[nH]nc(NCCN(C)C)c2-c2ccc3c(c2)n(C)c(=O)n3C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one?
The InChIKey is JHBRENLWCBUGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-18-8-7-9-20(16-18)25-24(26(30-29-25)28-14-15-31(2)3)19-12-13-22-23(17-19)32(4)27(34)33(22)21-10-5-6-11-21/h7-9,12-13,16-17,21H,5-6,10-11,14-15H2,1-4H3,(H2,28,29,30).
What are the key properties of 1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one?
1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one has a molecular weight of 458.61 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 23581471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).