2-(chloromethyl)-6-ethyl-1H-benzimidazole

C10H11ClN2 — CID 14096341

IUPAC2-(chloromethyl)-6-ethyl-1H-benzimidazole
SMILESCCc1ccc2nc(CCl)[nH]c2c1
InChIInChI=1S/C10H11ClN2/c1-2-7-3-4-8-9(5-7)13-10(6-11)12-8/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyPBNFCSATWFZVLP-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.86
Rot. Bonds2

About 2-(chloromethyl)-6-ethyl-1H-benzimidazole

2-(chloromethyl)-6-ethyl-1H-benzimidazole (PubChem CID 14096341) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(chloromethyl)-6-ethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-ethyl-1H-benzimidazole
PubChem CID14096341
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-(chloromethyl)-6-ethyl-1H-benzimidazole
SMILESCCc1ccc2nc(CCl)[nH]c2c1
InChIInChI=1S/C10H11ClN2/c1-2-7-3-4-8-9(5-7)13-10(6-11)12-8/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyPBNFCSATWFZVLP-UHFFFAOYSA-N
XLogP2.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-ethyl-1H-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

6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306
2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole
CID 91291350
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
(2-ethyl-3H-benzimidazol-5-yl)methanesulfonic acid
CID 175304465
methyl 3-[2-(chloromethyl)-3H-benzimidazol-5-yl]propanoate
CID 122513917
6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride
CID 154729465
2-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-ethyl-1H-benzimidazole
CID 50754084
4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid
CID 80502897
ethyl 2-(chloromethyl)-3H-benzimidazole-5-carboxylate;hydrochloride
CID 166000746
2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
CID 82335958
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337145

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-ethyl-1H-benzimidazole?
The IUPAC name of 2-(chloromethyl)-6-ethyl-1H-benzimidazole (CID 14096341) is 2-(chloromethyl)-6-ethyl-1H-benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-ethyl-1H-benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-ethyl-1H-benzimidazole is CCc1ccc2nc(CCl)[nH]c2c1.
What is the InChIKey of 2-(chloromethyl)-6-ethyl-1H-benzimidazole?
The InChIKey is PBNFCSATWFZVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-2-7-3-4-8-9(5-7)13-10(6-11)12-8/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of 2-(chloromethyl)-6-ethyl-1H-benzimidazole?
2-(chloromethyl)-6-ethyl-1H-benzimidazole has a molecular weight of 194.66 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-ethyl-1H-benzimidazole is sourced from PubChem (CID 14096341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).