2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole

C15H11Cl3N2 — CID 43660436

IUPAC2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3N2/c1-9-2-5-13-12(6-9)19-15(8-16)20(13)14-7-10(17)3-4-11(14)18/h2-7H,8H2,1H3
InChIKeyMNUUMEOLKMGHHK-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.38
Rot. Bonds2

About 2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole

2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole (PubChem CID 43660436) has the molecular formula C15H11Cl3N2 and a molecular weight of 325.63 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
PubChem CID43660436
Molecular FormulaC15H11Cl3N2
Molecular Weight325.63 g/mol
Exact Mass324.00
IUPAC Name2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3N2/c1-9-2-5-13-12(6-9)19-15(8-16)20(13)14-7-10(17)3-4-11(14)18/h2-7H,8H2,1H3
InChIKeyMNUUMEOLKMGHHK-UHFFFAOYSA-N
XLogP5.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 55.38
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
4-chloro-2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]benzonitrile
CID 64918563
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole
CID 107637779
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637786
1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660921
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43666807
1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313
2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole
CID 66081223
2-(2-chloroethyl)-1-(4-chloro-2-iodophenyl)-5-methylbenzimidazole
CID 107637947
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline
CID 106760326
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole (CID 43660436) is 2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCl)n2-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole?
The InChIKey is MNUUMEOLKMGHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2/c1-9-2-5-13-12(6-9)19-15(8-16)20(13)14-7-10(17)3-4-11(14)18/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole?
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole has a molecular weight of 325.63 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole is sourced from PubChem (CID 43660436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).