4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole

C15H11Cl3N2O — CID 104837476

IUPAC4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
SMILESCOc1ccc(Cl)cc1-n1c(CCl)nc2c(Cl)cccc21
InChIInChI=1S/C15H11Cl3N2O/c1-21-13-6-5-9(17)7-12(13)20-11-4-2-3-10(18)15(11)19-14(20)8-16/h2-7H,8H2,1H3
InChIKeyQJUCUJPLAXOULQ-UHFFFAOYSA-N
MW341.63 g/mol
LogP5.08
Rot. Bonds3

About 4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole

4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole (PubChem CID 104837476) has the molecular formula C15H11Cl3N2O and a molecular weight of 341.63 g/mol. Its IUPAC name is 4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
PubChem CID104837476
Molecular FormulaC15H11Cl3N2O
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
SMILESCOc1ccc(Cl)cc1-n1c(CCl)nc2c(Cl)cccc21
InChIInChI=1S/C15H11Cl3N2O/c1-21-13-6-5-9(17)7-12(13)20-11-4-2-3-10(18)15(11)19-14(20)8-16/h2-7H,8H2,1H3
InChIKeyQJUCUJPLAXOULQ-UHFFFAOYSA-N
XLogP5.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.63
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 104837657
1-(3-bromo-4-methoxyphenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838359
5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 43660441
4-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 104837444
4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 104837582
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
4-chloro-2-(chloromethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 104837341
4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
CID 104837784
2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile
CID 104719274
4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 104837807
4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 104838594
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-6-methylbenzonitrile
CID 107799721

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole?
The IUPAC name of 4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole (CID 104837476) is 4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole?
The canonical SMILES for 4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole is COc1ccc(Cl)cc1-n1c(CCl)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole?
The InChIKey is QJUCUJPLAXOULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O/c1-21-13-6-5-9(17)7-12(13)20-11-4-2-3-10(18)15(11)19-14(20)8-16/h2-7H,8H2,1H3.
What are the key properties of 4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole?
4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole has a molecular weight of 341.63 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 104837476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).