1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one

C15H15ClN4O — CID 15943601

IUPAC1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1nn(CCC(=O)n2cnc3ccccc32)c(C)c1Cl
InChIInChI=1S/C15H15ClN4O/c1-10-15(16)11(2)20(18-10)8-7-14(21)19-9-17-12-5-3-4-6-13(12)19/h3-6,9H,7-8H2,1-2H3
InChIKeyUUAGJDWQDSNJKW-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.23
Rot. Bonds3

About 1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one

1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one (PubChem CID 15943601) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one
PubChem CID15943601
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1nn(CCC(=O)n2cnc3ccccc32)c(C)c1Cl
InChIInChI=1S/C15H15ClN4O/c1-10-15(16)11(2)20(18-10)8-7-14(21)19-9-17-12-5-3-4-6-13(12)19/h3-6,9H,7-8H2,1-2H3
InChIKeyUUAGJDWQDSNJKW-UHFFFAOYSA-N
XLogP3.23
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one (CID 15943601) is 1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one is Cc1nn(CCC(=O)n2cnc3ccccc32)c(C)c1Cl.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one?
The InChIKey is UUAGJDWQDSNJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-10-15(16)11(2)20(18-10)8-7-14(21)19-9-17-12-5-3-4-6-13(12)19/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one?
1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one has a molecular weight of 302.77 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 15943601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).