2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole

C17H18ClN3 — CID 114701247

IUPAC2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
SMILESCc1ccc2c(c1)nc(C(C)Cl)n2Cc1ccncc1C
InChIInChI=1S/C17H18ClN3/c1-11-4-5-16-15(8-11)20-17(13(3)18)21(16)10-14-6-7-19-9-12(14)2/h4-9,13H,10H2,1-3H3
InChIKeyFSECHAFHUANMRD-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.40
Rot. Bonds3

About 2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole

2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole (PubChem CID 114701247) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
PubChem CID114701247
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
SMILESCc1ccc2c(c1)nc(C(C)Cl)n2Cc1ccncc1C
InChIInChI=1S/C17H18ClN3/c1-11-4-5-16-15(8-11)20-17(13(3)18)21(16)10-14-6-7-19-9-12(14)2/h4-9,13H,10H2,1-3H3
InChIKeyFSECHAFHUANMRD-UHFFFAOYSA-N
XLogP4.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)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)-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701298
5-chloro-2-(1-chloroethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701310
2-(1-chloroethyl)-5-methyl-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106896957
2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 79274286
2-(1-chloroethyl)-5-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 62056937
2-(1-chloroethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazo[4,5-c]pyridine
CID 106036565
2-(1-chloroethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63958886
2-(1-chloroethyl)-1-(2-cyclopropylpropyl)-5-methylbenzimidazole
CID 113475669
2-(1-chloroethyl)-5-methyl-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
CID 106294982
2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292472
2-(1-chloroethyl)-1-[(1-ethylcyclopropyl)methyl]-5-methylbenzimidazole
CID 114101196
2-(1-chloroethyl)-5-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 60902916

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole (CID 114701247) is 2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole is Cc1ccc2c(c1)nc(C(C)Cl)n2Cc1ccncc1C.
What is the InChIKey of 2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole?
The InChIKey is FSECHAFHUANMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-11-4-5-16-15(8-11)20-17(13(3)18)21(16)10-14-6-7-19-9-12(14)2/h4-9,13H,10H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole?
2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole has a molecular weight of 299.81 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole is sourced from PubChem (CID 114701247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).