1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole

C20H13Cl2FN2O — CID 3738179

IUPAC1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole
SMILESFc1cccc(Cl)c1COn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H13Cl2FN2O/c21-14-10-8-13(9-11-14)20-24-18-6-1-2-7-19(18)25(20)26-12-15-16(22)4-3-5-17(15)23/h1-11H,12H2
InChIKeyUMEVNKOSHDERHR-UHFFFAOYSA-N
MW387.24 g/mol
LogP5.78
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole

1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole (PubChem CID 3738179) has the molecular formula C20H13Cl2FN2O and a molecular weight of 387.24 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole
PubChem CID3738179
Molecular FormulaC20H13Cl2FN2O
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole
SMILESFc1cccc(Cl)c1COn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H13Cl2FN2O/c21-14-10-8-13(9-11-14)20-24-18-6-1-2-7-19(18)25(20)26-12-15-16(22)4-3-5-17(15)23/h1-11H,12H2
InChIKeyUMEVNKOSHDERHR-UHFFFAOYSA-N
XLogP5.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.24
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1H-1,3-benzimidazol-1-ol
CID 3528154
2-(2-chlorophenyl)-1H-1,3-benzimidazol-1-ol
CID 3633777
1-(benzyloxy)-2-(4-chlorophenyl)-6-nitro-1H-1,3-benzimidazole
CID 1476974
2-(4-chlorophenyl)-1-[(4-methylbenzyl)oxy]-6-nitro-1H-1,3-benzimidazole
CID 1477003
1-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridine
CID 3321151
1-[(4-chlorobenzyl)oxy]-2-(4-chlorophenyl)-1H-1,3-benzimidazole
CID 3465911
2-(2,4-dichlorophenyl)-1-[(4-methylbenzyl)oxy]-1H-imidazo[4,5-b]pyridine
CID 4298883
1-[(4-chlorobenzyl)oxy]-2-phenyl-1H-1,3-benzimidazole
CID 4441753
[1-[(2-Chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 16012746
1-[(4-chlorobenzyl)oxy]-6-nitro-2-phenyl-1H-1,3-benzimidazole
CID 1477039
6-chloro-2-(4-chlorophenyl)-1-methoxy-1H-1,3-benzimidazole
CID 3613694
1-(benzyloxy)-2-(2,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridine
CID 3730844

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole (CID 3738179) is 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole is Fc1cccc(Cl)c1COn1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole?
The InChIKey is UMEVNKOSHDERHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN2O/c21-14-10-8-13(9-11-14)20-24-18-6-1-2-7-19(18)25(20)26-12-15-16(22)4-3-5-17(15)23/h1-11H,12H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole?
1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole has a molecular weight of 387.24 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-chlorophenyl)benzimidazole is sourced from PubChem (CID 3738179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).