6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole

C15H10BrF3N2O — CID 168825423

IUPAC6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole
SMILESCn1cnc2c(-c3ccc(OC(F)(F)F)cc3)cc(Br)cc21
InChIInChI=1S/C15H10BrF3N2O/c1-21-8-20-14-12(6-10(16)7-13(14)21)9-2-4-11(5-3-9)22-15(17,18)19/h2-8H,1H3
InChIKeyIQBXWKIGJAWBIM-UHFFFAOYSA-N
MW371.16 g/mol
LogP4.90
Rot. Bonds2

About 6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole

6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole (PubChem CID 168825423) has the molecular formula C15H10BrF3N2O and a molecular weight of 371.16 g/mol. Its IUPAC name is 6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole.

Molecular Properties

Compound Name6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole
PubChem CID168825423
Molecular FormulaC15H10BrF3N2O
Molecular Weight371.16 g/mol
Exact Mass369.99
IUPAC Name6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole
SMILESCn1cnc2c(-c3ccc(OC(F)(F)F)cc3)cc(Br)cc21
InChIInChI=1S/C15H10BrF3N2O/c1-21-8-20-14-12(6-10(16)7-13(14)21)9-2-4-11(5-3-9)22-15(17,18)19/h2-8H,1H3
InChIKeyIQBXWKIGJAWBIM-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-methyl-7-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carbonyl]amino]prop-2-enoate
CID 168825471
6-(bromomethyl)-7-imidazol-1-yl-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 168825304
3-methyl-5-[(prop-2-enoylamino)methyl]-7-[4-(trifluoromethoxy)phenyl]benzimidazole-4-carboxamide
CID 168825222
1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol
CID 168825271
tert-butyl N-[7-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-methylbenzimidazol-5-yl]carbamate
CID 168825583
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 134354899
7-bromo-1-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridin-4-ol
CID 139390766
[8-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 168825688
6-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086741
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507
4-N,4-N,2-trimethyl-5-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 59820952

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole?
The IUPAC name of 6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole (CID 168825423) is 6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole.
What is the SMILES notation for 6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole?
The canonical SMILES for 6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole is Cn1cnc2c(-c3ccc(OC(F)(F)F)cc3)cc(Br)cc21.
What is the InChIKey of 6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole?
The InChIKey is IQBXWKIGJAWBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N2O/c1-21-8-20-14-12(6-10(16)7-13(14)21)9-2-4-11(5-3-9)22-15(17,18)19/h2-8H,1H3.
What are the key properties of 6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole?
6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole has a molecular weight of 371.16 g/mol, XLogP of 4.90, 2 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-[4-(trifluoromethoxy)phenyl]benzimidazole is sourced from PubChem (CID 168825423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).