2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole

C15H12Cl2N2 — CID 66253533

IUPAC2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
SMILESCc1cccc(Cl)c1-n1c(CCl)nc2ccccc21
InChIInChI=1S/C15H12Cl2N2/c1-10-5-4-6-11(17)15(10)19-13-8-3-2-7-12(13)18-14(19)9-16/h2-8H,9H2,1H3
InChIKeyAGCWIJPATRLNRV-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.73
Rot. Bonds2

About 2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole

2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole (PubChem CID 66253533) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
PubChem CID66253533
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
SMILESCc1cccc(Cl)c1-n1c(CCl)nc2ccccc21
InChIInChI=1S/C15H12Cl2N2/c1-10-5-4-6-11(17)15(10)19-13-8-3-2-7-12(13)18-14(19)9-16/h2-8H,9H2,1H3
InChIKeyAGCWIJPATRLNRV-UHFFFAOYSA-N
XLogP4.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.73
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-(chloromethyl)-1-(2-chloro-6-methylphenyl)-4-fluorobenzimidazole
CID 66251217
1-(4-bromo-2,6-dimethylphenyl)-2-(chloromethyl)benzimidazole
CID 65498853
5-chloro-2-(2-chloroethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
CID 66252376
2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole
CID 29075929
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole
CID 115552935
2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
CID 53407605
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methylbenzonitrile
CID 107107391
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 29075973
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
2-(chloromethyl)-1-(2-iodophenyl)benzimidazole
CID 29075912
2-(chloromethyl)-1-(1-methylpyrazol-3-yl)benzimidazole
CID 79779737
1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole
CID 82766784

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole (CID 66253533) is 2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole is Cc1cccc(Cl)c1-n1c(CCl)nc2ccccc21.
What is the InChIKey of 2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole?
The InChIKey is AGCWIJPATRLNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-10-5-4-6-11(17)15(10)19-13-8-3-2-7-12(13)18-14(19)9-16/h2-8H,9H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole?
2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole has a molecular weight of 291.18 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole is sourced from PubChem (CID 66253533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).