2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole

C15H11Cl2FN2 — CID 107637832

IUPAC2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole
SMILESCc1ccc(Cl)c(-n2c(CCl)nc3c(F)cccc32)c1
InChIInChI=1S/C15H11Cl2FN2/c1-9-5-6-10(17)13(7-9)20-12-4-2-3-11(18)15(12)19-14(20)8-16/h2-7H,8H2,1H3
InChIKeyYKUUGIHNXGLCPD-UHFFFAOYSA-N
MW309.17 g/mol
LogP4.87
Rot. Bonds2

About 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole

2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole (PubChem CID 107637832) has the molecular formula C15H11Cl2FN2 and a molecular weight of 309.17 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole
PubChem CID107637832
Molecular FormulaC15H11Cl2FN2
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole
SMILESCc1ccc(Cl)c(-n2c(CCl)nc3c(F)cccc32)c1
InChIInChI=1S/C15H11Cl2FN2/c1-9-5-6-10(17)13(7-9)20-12-4-2-3-11(18)15(12)19-14(20)8-16/h2-7H,8H2,1H3
InChIKeyYKUUGIHNXGLCPD-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 54.87
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

5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole
CID 107637779
2-(chloromethyl)-1-(2-chloro-6-methylphenyl)-4-fluorobenzimidazole
CID 66251217
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107638125
1-(4-bromo-2,3-dichlorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107791831
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
2-[2-(chloromethyl)-4-fluorobenzimidazol-1-yl]-6-fluorobenzonitrile
CID 60789752
4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 104837582
2-(chloromethyl)-1-(2,5-dichlorophenyl)benzimidazole-4-carbonitrile
CID 104719274
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107614166
1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 65499437
2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
CID 115509136

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole (CID 107637832) is 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole is Cc1ccc(Cl)c(-n2c(CCl)nc3c(F)cccc32)c1.
What is the InChIKey of 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole?
The InChIKey is YKUUGIHNXGLCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2/c1-9-5-6-10(17)13(7-9)20-12-4-2-3-11(18)15(12)19-14(20)8-16/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole?
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole has a molecular weight of 309.17 g/mol, XLogP of 4.87, 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-chloro-5-methylphenyl)-4-fluorobenzimidazole is sourced from PubChem (CID 107637832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).