N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide

C25H27N5O2 — CID 23581737

IUPACN-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccc3c(c2)n(C)c(=O)n3C2CCC2)c(-c2cccc(C)c2)nn1C
InChIInChI=1S/C25H27N5O2/c1-15-7-5-8-18(13-15)23-22(24(26-16(2)31)29(4)27-23)17-11-12-20-21(14-17)28(3)25(32)30(20)19-9-6-10-19/h5,7-8,11-14,19H,6,9-10H2,1-4H3,(H,26,31)
InChIKeyQFCZILZQBBQBMR-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.40
Rot. Bonds4

About N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide

N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide (PubChem CID 23581737) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide
PubChem CID23581737
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccc3c(c2)n(C)c(=O)n3C2CCC2)c(-c2cccc(C)c2)nn1C
InChIInChI=1S/C25H27N5O2/c1-15-7-5-8-18(13-15)23-22(24(26-16(2)31)29(4)27-23)17-11-12-20-21(14-17)28(3)25(32)30(20)19-9-6-10-19/h5,7-8,11-14,19H,6,9-10H2,1-4H3,(H,26,31)
InChIKeyQFCZILZQBBQBMR-UHFFFAOYSA-N
XLogP4.40
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)-1,2-oxazol-5-yl]-N-methylsulfonylmethanesulfonamide
CID 23581741
2-[4-(1-cyclopentyl-3-methyl-2-oxobenzimidazol-5-yl)-5-(3-methylphenyl)pyrazol-1-yl]acetic acid
CID 23581511
1-cyclohexyl-3-methyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581450
1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581461
1-cyclopentyl-5-[3-[2-(dimethylamino)ethylamino]-5-(3-methylphenyl)-1H-pyrazol-4-yl]-3-methylbenzimidazol-2-one
CID 23581471
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674032
5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride
CID 22063817
2-[4-(1-cyclopentyl-3-ethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 23581508
[5-(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)-4-(3-methylphenyl)-1H-imidazol-2-yl]urea
CID 23581563
3-methyl-5-(2-methylphenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)benzimidazol-2-one
CID 56656263
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
CID 132538742
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]cyclohexanecarboxamide
CID 4908379

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide?
The IUPAC name of N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide (CID 23581737) is N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide?
The canonical SMILES for N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide is CC(=O)Nc1c(-c2ccc3c(c2)n(C)c(=O)n3C2CCC2)c(-c2cccc(C)c2)nn1C.
What is the InChIKey of N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide?
The InChIKey is QFCZILZQBBQBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-15-7-5-8-18(13-15)23-22(24(26-16(2)31)29(4)27-23)17-11-12-20-21(14-17)28(3)25(32)30(20)19-9-6-10-19/h5,7-8,11-14,19H,6,9-10H2,1-4H3,(H,26,31).
What are the key properties of N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide?
N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclobutyl-3-methyl-2-oxobenzimidazol-5-yl)-1-methyl-3-(3-methylphenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 23581737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).