5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole

C15H10Cl4N2 — CID 107637779

IUPAC5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole
SMILESCc1ccc(Cl)c(-n2c(CCl)nc3cc(Cl)c(Cl)cc32)c1
InChIInChI=1S/C15H10Cl4N2/c1-8-2-3-9(17)13(4-8)21-14-6-11(19)10(18)5-12(14)20-15(21)7-16/h2-6H,7H2,1H3
InChIKeyWDRQISFLMGDBPB-UHFFFAOYSA-N
MW360.07 g/mol
LogP6.03
Rot. Bonds2

About 5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole

5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole (PubChem CID 107637779) has the molecular formula C15H10Cl4N2 and a molecular weight of 360.07 g/mol. Its IUPAC name is 5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole
PubChem CID107637779
Molecular FormulaC15H10Cl4N2
Molecular Weight360.07 g/mol
Exact Mass357.96
IUPAC Name5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole
SMILESCc1ccc(Cl)c(-n2c(CCl)nc3cc(Cl)c(Cl)cc32)c1
InChIInChI=1S/C15H10Cl4N2/c1-8-2-3-9(17)13(4-8)21-14-6-11(19)10(18)5-12(14)20-15(21)7-16/h2-6H,7H2,1H3
InChIKeyWDRQISFLMGDBPB-UHFFFAOYSA-N
XLogP6.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.07
LogP ≤ 56.03
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

2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637786
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637764
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole
CID 107637832
5-bromo-2-(chloromethyl)-1-(2-chloro-4-methylphenyl)-6-fluorobenzimidazole
CID 66088497
1-(5-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluoro-6-methylbenzimidazole
CID 103593684
2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine
CID 107637795
6-bromo-2-(chloromethyl)-1-(2-fluoro-5-methylphenyl)benzimidazole
CID 65344941
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
6-bromo-1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738743

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole?
The IUPAC name of 5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole (CID 107637779) is 5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole is Cc1ccc(Cl)c(-n2c(CCl)nc3cc(Cl)c(Cl)cc32)c1.
What is the InChIKey of 5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole?
The InChIKey is WDRQISFLMGDBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2/c1-8-2-3-9(17)13(4-8)21-14-6-11(19)10(18)5-12(14)20-15(21)7-16/h2-6H,7H2,1H3.
What are the key properties of 5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole?
5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole has a molecular weight of 360.07 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole is sourced from PubChem (CID 107637779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).