2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole

C16H14Cl2N2 — CID 115552935

IUPAC2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole
SMILESCc1c(Cl)cccc1-n1c(CCl)nc2cccc(C)c21
InChIInChI=1S/C16H14Cl2N2/c1-10-5-3-7-13-16(10)20(15(9-17)19-13)14-8-4-6-12(18)11(14)2/h3-8H,9H2,1-2H3
InChIKeyMGXMEPJVSLPPDF-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.03
Rot. Bonds2

About 2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole

2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole (PubChem CID 115552935) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole
PubChem CID115552935
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole
SMILESCc1c(Cl)cccc1-n1c(CCl)nc2cccc(C)c21
InChIInChI=1S/C16H14Cl2N2/c1-10-5-3-7-13-16(10)20(15(9-17)19-13)14-8-4-6-12(18)11(14)2/h3-8H,9H2,1-2H3
InChIKeyMGXMEPJVSLPPDF-UHFFFAOYSA-N
XLogP5.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.03
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

1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 107607310
2-(2-chloroethyl)-1-(2,3-dichlorophenyl)-7-methylbenzimidazole
CID 115552896
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292643
1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 103480725
5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole
CID 43660831
1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 43660462
3-[2-(chloromethyl)-7-methylbenzimidazol-1-yl]-4-methylbenzonitrile
CID 115553377
2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
CID 66253533
2-(chloromethyl)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
2-(2-chloroethyl)-1-(2,4-dichlorophenyl)-7-methylbenzimidazole
CID 115552924
2-(chloromethyl)-1-(4-ethoxyphenyl)-7-methylbenzimidazole
CID 115552801
7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601564

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole (CID 115552935) is 2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole is Cc1c(Cl)cccc1-n1c(CCl)nc2cccc(C)c21.
What is the InChIKey of 2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole?
The InChIKey is MGXMEPJVSLPPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-10-5-3-7-13-16(10)20(15(9-17)19-13)14-8-4-6-12(18)11(14)2/h3-8H,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole?
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole has a molecular weight of 305.21 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole is sourced from PubChem (CID 115552935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).