2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole

C17H16ClFN2 — CID 103593360

IUPAC2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
SMILESCc1cc2c(cc1F)nc(CCCl)n2-c1ccccc1C
InChIInChI=1S/C17H16ClFN2/c1-11-5-3-4-6-15(11)21-16-9-12(2)13(19)10-14(16)20-17(21)7-8-18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyJHHREAIZTVTNNF-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.56
Rot. Bonds3

About 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole

2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole (PubChem CID 103593360) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
PubChem CID103593360
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
SMILESCc1cc2c(cc1F)nc(CCCl)n2-c1ccccc1C
InChIInChI=1S/C17H16ClFN2/c1-11-5-3-4-6-15(11)21-16-9-12(2)13(19)10-14(16)20-17(21)7-8-18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyJHHREAIZTVTNNF-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole
CID 103593331
5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
CID 43667207
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
CID 43667053
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole
CID 103593316
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
2-(1-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593361
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylphenyl)benzimidazole
CID 65344841

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole (CID 103593360) is 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole is Cc1cc2c(cc1F)nc(CCCl)n2-c1ccccc1C.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole?
The InChIKey is JHHREAIZTVTNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c1-11-5-3-4-6-15(11)21-16-9-12(2)13(19)10-14(16)20-17(21)7-8-18/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole?
2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole has a molecular weight of 302.78 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 103593360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).