1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one

C21H22N4O — CID 23647075

IUPAC1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3ccnn3-c3cccc(C)c3)ccc21
InChIInChI=1S/C21H22N4O/c1-4-23-19-10-9-16(14-20(19)24(5-2)21(23)26)18-11-12-22-25(18)17-8-6-7-15(3)13-17/h6-14H,4-5H2,1-3H3
InChIKeyXHAOCYLGIWUQKQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.00
Rot. Bonds4

About 1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one

1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one (PubChem CID 23647075) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one
PubChem CID23647075
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3ccnn3-c3cccc(C)c3)ccc21
InChIInChI=1S/C21H22N4O/c1-4-23-19-10-9-16(14-20(19)24(5-2)21(23)26)18-11-12-22-25(18)17-8-6-7-15(3)13-17/h6-14H,4-5H2,1-3H3
InChIKeyXHAOCYLGIWUQKQ-UHFFFAOYSA-N
XLogP4.00
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Diethyl-5-(3-m-tolyl-1H-pyrazol-4-yl)-1,3-dihydro-benzoimidazol-2-one
CID 22063925
1,3-diethyl-5-[3-(4-fluoro-3-methylphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581364
1,3-diethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581376
1,3-dimethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581414
1,3-diethyl-5-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647068
1,3-diethyl-5-[4-(3-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10383002
1,3-diethyl-5-(4-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647070
5-[4-(4-methylpiperazino)phenyl]-N-phenyl-1H-pyrazole-1-carboxamide
CID 4264966
N-{4-[1-(3-methylbutyl)-1H-pyrazol-4-yl]phenyl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509943
1,3-dimethyl-5-(4-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647069
1-[[1-(3,4-Dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162650774
1-[[3-Tert-butyl-1-(4-tert-butylphenyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162654873

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one (CID 23647075) is 1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3ccnn3-c3cccc(C)c3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one?
The InChIKey is XHAOCYLGIWUQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-23-19-10-9-16(14-20(19)24(5-2)21(23)26)18-11-12-22-25(18)17-8-6-7-15(3)13-17/h6-14H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one?
1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one has a molecular weight of 346.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[2-(3-methylphenyl)pyrazol-3-yl]benzimidazol-2-one is sourced from PubChem (CID 23647075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).