2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide

C30H38N6O2 — CID 23581508

IUPAC2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCCn1c(=O)n(C2CCCC2)c2ccc(-c3cn(CC(=O)NCCN(C)C)nc3-c3cccc(C)c3)cc21
InChIInChI=1S/C30H38N6O2/c1-5-35-27-18-22(13-14-26(27)36(30(35)38)24-11-6-7-12-24)25-19-34(20-28(37)31-15-16-33(3)4)32-29(25)23-10-8-9-21(2)17-23/h8-10,13-14,17-19,24H,5-7,11-12,15-16,20H2,1-4H3,(H,31,37)
InChIKeyWVZFGXRPKNCXAO-UHFFFAOYSA-N
MW514.67 g/mol
LogP4.45
Rot. Bonds9

About 2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide

2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 23581508) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID23581508
Molecular FormulaC30H38N6O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC Name2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCCn1c(=O)n(C2CCCC2)c2ccc(-c3cn(CC(=O)NCCN(C)C)nc3-c3cccc(C)c3)cc21
InChIInChI=1S/C30H38N6O2/c1-5-35-27-18-22(13-14-26(27)36(30(35)38)24-11-6-7-12-24)25-19-34(20-28(37)31-15-16-33(3)4)32-29(25)23-10-8-9-21(2)17-23/h8-10,13-14,17-19,24H,5-7,11-12,15-16,20H2,1-4H3,(H,31,37)
InChIKeyWVZFGXRPKNCXAO-UHFFFAOYSA-N
XLogP4.45
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-aminoethyl)-2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetamide
CID 23581727
1,3-diethyl-5-[3-(3-methylphenyl)-1-prop-2-enylpyrazol-4-yl]benzimidazol-2-one
CID 22063941
1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one
CID 23581471
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
N-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)-1,2-oxazol-5-yl]-N-methylsulfonylmethanesulfonamide
CID 23581741
2-[5-amino-4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetic acid
CID 22063829
1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one
CID 22063831
1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one
CID 23647076
1,3-diethyl-5-[5-(3-methylphenyl)-1H-pyrazol-4-yl]benzimidazol-2-one
CID 22063925
1,3-diethyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 22063936
1-ethyl-3-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 20848730

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 23581508) is 2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide is CCn1c(=O)n(C2CCCC2)c2ccc(-c3cn(CC(=O)NCCN(C)C)nc3-c3cccc(C)c3)cc21.
What is the InChIKey of 2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is WVZFGXRPKNCXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O2/c1-5-35-27-18-22(13-14-26(27)36(30(35)38)24-11-6-7-12-24)25-19-34(20-28(37)31-15-16-33(3)4)32-29(25)23-10-8-9-21(2)17-23/h8-10,13-14,17-19,24H,5-7,11-12,15-16,20H2,1-4H3,(H,31,37).
What are the key properties of 2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 514.67 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 23581508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).