1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole

C15H10BrF3N2O — CID 164670429

IUPAC1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc2nc(C(F)(F)F)n(-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C15H10BrF3N2O/c1-22-11-6-7-12-13(8-11)21(14(20-12)15(17,18)19)10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyAPELPQXUAAHNOW-UHFFFAOYSA-N
MW371.16 g/mol
LogP4.82
Rot. Bonds2

About 1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole

1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole (PubChem CID 164670429) has the molecular formula C15H10BrF3N2O and a molecular weight of 371.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole
PubChem CID164670429
Molecular FormulaC15H10BrF3N2O
Molecular Weight371.16 g/mol
Exact Mass369.99
IUPAC Name1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole
SMILESCOc1ccc2nc(C(F)(F)F)n(-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C15H10BrF3N2O/c1-22-11-6-7-12-13(8-11)21(14(20-12)15(17,18)19)10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyAPELPQXUAAHNOW-UHFFFAOYSA-N
XLogP4.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.16
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole (CID 164670429) is 1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole is COc1ccc2nc(C(F)(F)F)n(-c3ccc(Br)cc3)c2c1.
What is the InChIKey of 1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole?
The InChIKey is APELPQXUAAHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N2O/c1-22-11-6-7-12-13(8-11)21(14(20-12)15(17,18)19)10-4-2-9(16)3-5-10/h2-8H,1H3.
What are the key properties of 1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole?
1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole has a molecular weight of 371.16 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-6-methoxy-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 164670429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).