1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole

C15H11Cl2FN2O — CID 107622367

IUPAC1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
SMILESCOc1cc(-n2c(CCl)nc3cc(F)ccc32)ccc1Cl
InChIInChI=1S/C15H11Cl2FN2O/c1-21-14-7-10(3-4-11(14)17)20-13-5-2-9(18)6-12(13)19-15(20)8-16/h2-7H,8H2,1H3
InChIKeyAQYMZVRISVSPRQ-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.57
Rot. Bonds3

About 1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole

1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole (PubChem CID 107622367) has the molecular formula C15H11Cl2FN2O and a molecular weight of 325.17 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
PubChem CID107622367
Molecular FormulaC15H11Cl2FN2O
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
SMILESCOc1cc(-n2c(CCl)nc3cc(F)ccc32)ccc1Cl
InChIInChI=1S/C15H11Cl2FN2O/c1-21-14-7-10(3-4-11(14)17)20-13-5-2-9(18)6-12(13)19-15(20)8-16/h2-7H,8H2,1H3
InChIKeyAQYMZVRISVSPRQ-UHFFFAOYSA-N
XLogP4.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-6-methylbenzimidazole
CID 107622390
2-(chloromethyl)-6-fluoro-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 62377722
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660941
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
2-(chloromethyl)-1-(3-chlorophenyl)-5-fluorobenzimidazole
CID 43660375
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 29075973
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
CID 43660685
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
CID 43660474
2-(2-chloroethyl)-1-(3,4-dichlorophenyl)-6-fluorobenzimidazole
CID 63546455

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole (CID 107622367) is 1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole is COc1cc(-n2c(CCl)nc3cc(F)ccc32)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole?
The InChIKey is AQYMZVRISVSPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O/c1-21-14-7-10(3-4-11(14)17)20-13-5-2-9(18)6-12(13)19-15(20)8-16/h2-7H,8H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole?
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole has a molecular weight of 325.17 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole is sourced from PubChem (CID 107622367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).