4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole

C14H8Cl3FN2 — CID 104837582

IUPAC4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
SMILESFc1c(Cl)cccc1-n1c(CCl)nc2c(Cl)cccc21
InChIInChI=1S/C14H8Cl3FN2/c15-7-12-19-14-9(17)4-2-6-11(14)20(12)10-5-1-3-8(16)13(10)18/h1-6H,7H2
InChIKeyLMNPCQOPKCWISO-UHFFFAOYSA-N
MW329.59 g/mol
LogP5.21
Rot. Bonds2

About 4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole

4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole (PubChem CID 104837582) has the molecular formula C14H8Cl3FN2 and a molecular weight of 329.59 g/mol. Its IUPAC name is 4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
PubChem CID104837582
Molecular FormulaC14H8Cl3FN2
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC Name4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
SMILESFc1c(Cl)cccc1-n1c(CCl)nc2c(Cl)cccc21
InChIInChI=1S/C14H8Cl3FN2/c15-7-12-19-14-9(17)4-2-6-11(14)20(12)10-5-1-3-8(16)13(10)18/h1-6H,7H2
InChIKeyLMNPCQOPKCWISO-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.59
LogP ≤ 55.21
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

4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837746
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 104838594
4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
CID 104837784
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-6-methylbenzonitrile
CID 107799721
1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838473
1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 66093632
4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 104837657
4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 104837476
2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
CID 115509136
4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 104837807
4-chloro-2-(2-chloroethyl)-1-(2,4-difluorophenyl)benzimidazole
CID 104837501

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole?
The IUPAC name of 4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole (CID 104837582) is 4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole?
The canonical SMILES for 4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole is Fc1c(Cl)cccc1-n1c(CCl)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole?
The InChIKey is LMNPCQOPKCWISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3FN2/c15-7-12-19-14-9(17)4-2-6-11(14)20(12)10-5-1-3-8(16)13(10)18/h1-6H,7H2.
What are the key properties of 4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole?
4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole has a molecular weight of 329.59 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 104837582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).