2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole

C15H17ClN4 — CID 115990991

IUPAC2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole
SMILESCc1nn(C)cc1Cn1c(C(C)Cl)nc2ccccc21
InChIInChI=1S/C15H17ClN4/c1-10(16)15-17-13-6-4-5-7-14(13)20(15)9-12-8-19(3)18-11(12)2/h4-8,10H,9H2,1-3H3
InChIKeyYCPAQJDTSHSGRQ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.43
Rot. Bonds3

About 2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole

2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole (PubChem CID 115990991) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole
PubChem CID115990991
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole
SMILESCc1nn(C)cc1Cn1c(C(C)Cl)nc2ccccc21
InChIInChI=1S/C15H17ClN4/c1-10(16)15-17-13-6-4-5-7-14(13)20(15)9-12-8-19(3)18-11(12)2/h4-8,10H,9H2,1-3H3
InChIKeyYCPAQJDTSHSGRQ-UHFFFAOYSA-N
XLogP3.43
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole 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

2-(1-chloroethyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 43666398
6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
CID 115990996
5-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 63280677
2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 114180807
1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927
2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494128
1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82024681
2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole
CID 63545217
4-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 63826223
2-(1-chloroethyl)-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
CID 115990966
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 115470773

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole (CID 115990991) is 2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole is Cc1nn(C)cc1Cn1c(C(C)Cl)nc2ccccc21.
What is the InChIKey of 2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole?
The InChIKey is YCPAQJDTSHSGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-10(16)15-17-13-6-4-5-7-14(13)20(15)9-12-8-19(3)18-11(12)2/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole?
2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole has a molecular weight of 288.78 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazole is sourced from PubChem (CID 115990991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).