2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone

C18H15ClN4O — CID 66866335

IUPAC2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(Cc1ccc2nc[nH]c2c1)N1CCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H15ClN4O/c19-14-4-2-13(3-5-14)15-7-8-23(22-15)18(24)10-12-1-6-16-17(9-12)21-11-20-16/h1-6,9,11H,7-8,10H2,(H,20,21)
InChIKeyFBYIVMWMAFWPLK-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.40
Rot. Bonds3

About 2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone

2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 66866335) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID66866335
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(Cc1ccc2nc[nH]c2c1)N1CCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H15ClN4O/c19-14-4-2-13(3-5-14)15-7-8-23(22-15)18(24)10-12-1-6-16-17(9-12)21-11-20-16/h1-6,9,11H,7-8,10H2,(H,20,21)
InChIKeyFBYIVMWMAFWPLK-UHFFFAOYSA-N
XLogP3.40
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2H-benzotriazol-5-yl)-1-[5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 66866158
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
methyl 4-[2-(3H-benzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110803448
2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110802316
ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate
CID 110772416
methyl 4-[4-[2-(3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801390
2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 110814290
2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110772518
2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 7531928
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 66866335) is 2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone is O=C(Cc1ccc2nc[nH]c2c1)N1CCC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is FBYIVMWMAFWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-14-4-2-13(3-5-14)15-7-8-23(22-15)18(24)10-12-1-6-16-17(9-12)21-11-20-16/h1-6,9,11H,7-8,10H2,(H,20,21).
What are the key properties of 2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone?
2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 338.80 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-1-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 66866335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).