6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole

C16H12BrF3N2O — CID 69134405

IUPAC6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2c(OCc3ccccc3)cc(Br)cc21
InChIInChI=1S/C16H12BrF3N2O/c1-22-12-7-11(17)8-13(14(12)21-15(22)16(18,19)20)23-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyATKXLNFOSQRLHW-UHFFFAOYSA-N
MW385.18 g/mol
LogP4.93
Rot. Bonds3

About 6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole

6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole (PubChem CID 69134405) has the molecular formula C16H12BrF3N2O and a molecular weight of 385.18 g/mol. Its IUPAC name is 6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole
PubChem CID69134405
Molecular FormulaC16H12BrF3N2O
Molecular Weight385.18 g/mol
Exact Mass384.01
IUPAC Name6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2c(OCc3ccccc3)cc(Br)cc21
InChIInChI=1S/C16H12BrF3N2O/c1-22-12-7-11(17)8-13(14(12)21-15(22)16(18,19)20)23-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyATKXLNFOSQRLHW-UHFFFAOYSA-N
XLogP4.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methoxy-benzimidazole
CID 492672
Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yloxy)-ethyl]-amine
CID 9840672
8-Bromo-1-(2-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 127038169
4,5-dibromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)-1H-benzo[d]imidazole
CID 11155912
5-bromo-4-iodo-2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)-1H-benzo[d]imidazole
CID 11191770
4-Bromo-2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazole
CID 11281119
4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)-5-(trifluoromethyl)-1H-benzo[d]imidazole
CID 11328907
2-(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1H-benzo[d]imidazol-1-yl)-N,N-dimethylethanamine
CID 11486852
5-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzo[d]imidazole
CID 49865533
11-Bromo-2-methyl-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine
CID 118728328
2,11-Dibromo-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine
CID 118728330
8-Bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 127038167

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole (CID 69134405) is 6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole is Cn1c(C(F)(F)F)nc2c(OCc3ccccc3)cc(Br)cc21.
What is the InChIKey of 6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole?
The InChIKey is ATKXLNFOSQRLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O/c1-22-12-7-11(17)8-13(14(12)21-15(22)16(18,19)20)23-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole?
6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole has a molecular weight of 385.18 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-4-phenylmethoxy-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 69134405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).