2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole

C15H10ClF3N2 — CID 63547219

IUPAC2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H10ClF3N2/c1-8-2-3-13-12(4-8)20-14(7-16)21(13)9-5-10(17)15(19)11(18)6-9/h2-6H,7H2,1H3
InChIKeyRGAKUJWHAWKMRY-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.49
Rot. Bonds2

About 2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole

2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole (PubChem CID 63547219) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole
PubChem CID63547219
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H10ClF3N2/c1-8-2-3-13-12(4-8)20-14(7-16)21(13)9-5-10(17)15(19)11(18)6-9/h2-6H,7H2,1H3
InChIKeyRGAKUJWHAWKMRY-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 107368467
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660941
3-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]benzonitrile
CID 43660574
5-bromo-2-(chloromethyl)-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79050150
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660921
2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
CID 107601483
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole (CID 63547219) is 2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole is Cc1ccc2c(c1)nc(CCl)n2-c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole?
The InChIKey is RGAKUJWHAWKMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c1-8-2-3-13-12(4-8)20-14(7-16)21(13)9-5-10(17)15(19)11(18)6-9/h2-6H,7H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole?
2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole has a molecular weight of 310.71 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole is sourced from PubChem (CID 63547219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).