6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole

C20H13Cl2FN2O — CID 2766777

IUPAC6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole
SMILESFc1cccc(Cl)c1COn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C20H13Cl2FN2O/c21-14-9-10-18-19(11-14)25(20(24-18)13-5-2-1-3-6-13)26-12-15-16(22)7-4-8-17(15)23/h1-11H,12H2
InChIKeyCRYOUHRLMHXJLT-UHFFFAOYSA-N
MW387.24 g/mol
LogP5.78
Rot. Bonds4

About 6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole

6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole (PubChem CID 2766777) has the molecular formula C20H13Cl2FN2O and a molecular weight of 387.24 g/mol. Its IUPAC name is 6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole
PubChem CID2766777
Molecular FormulaC20H13Cl2FN2O
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole
SMILESFc1cccc(Cl)c1COn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C20H13Cl2FN2O/c21-14-9-10-18-19(11-14)25(20(24-18)13-5-2-1-3-6-13)26-12-15-16(22)7-4-8-17(15)23/h1-11H,12H2
InChIKeyCRYOUHRLMHXJLT-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole?
The IUPAC name of 6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole (CID 2766777) is 6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole.
What is the SMILES notation for 6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole?
The canonical SMILES for 6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole is Fc1cccc(Cl)c1COn1c(-c2ccccc2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole?
The InChIKey is CRYOUHRLMHXJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN2O/c21-14-9-10-18-19(11-14)25(20(24-18)13-5-2-1-3-6-13)26-12-15-16(22)7-4-8-17(15)23/h1-11H,12H2.
What are the key properties of 6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole?
6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole 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 6-chloro-1-[(2-chloro-6-fluorophenyl)methoxy]-2-phenylbenzimidazole is sourced from PubChem (CID 2766777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).