2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole

C15H10BrF3N2O — CID 89482987

IUPAC2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(Cc2nc3ccccc3[nH]2)cc1Br
InChIInChI=1S/C15H10BrF3N2O/c16-10-7-9(5-6-13(10)22-15(17,18)19)8-14-20-11-3-1-2-4-12(11)21-14/h1-7H,8H2,(H,20,21)
InChIKeyYXQQUERPOYBUPA-UHFFFAOYSA-N
MW371.16 g/mol
LogP4.81
Rot. Bonds3

About 2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole

2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole (PubChem CID 89482987) has the molecular formula C15H10BrF3N2O and a molecular weight of 371.16 g/mol. Its IUPAC name is 2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole
PubChem CID89482987
Molecular FormulaC15H10BrF3N2O
Molecular Weight371.16 g/mol
Exact Mass369.99
IUPAC Name2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole
SMILESFC(F)(F)Oc1ccc(Cc2nc3ccccc3[nH]2)cc1Br
InChIInChI=1S/C15H10BrF3N2O/c16-10-7-9(5-6-13(10)22-15(17,18)19)8-14-20-11-3-1-2-4-12(11)21-14/h1-7H,8H2,(H,20,21)
InChIKeyYXQQUERPOYBUPA-UHFFFAOYSA-N
XLogP4.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.16
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one
CID 15995556
1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]phthalazine
CID 174955902
3-(1H-benzimidazol-2-ylmethyl)aniline
CID 65346591
N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 6735005
2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 168555419
2-bromo-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342183
1-chloro-4-(2,2-dimethylpropyl)benzene;4-chloro-1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;2-(2,2-dimethylpropyl)-1H-benzimidazole
CID 158074849
2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole
CID 143712602
2-bromo-4-[(E)-3-methoxyprop-2-enyl]-1-(trifluoromethoxy)benzene
CID 176990478
2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649
2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole
CID 20703828

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole (CID 89482987) is 2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole is FC(F)(F)Oc1ccc(Cc2nc3ccccc3[nH]2)cc1Br.
What is the InChIKey of 2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole?
The InChIKey is YXQQUERPOYBUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N2O/c16-10-7-9(5-6-13(10)22-15(17,18)19)8-14-20-11-3-1-2-4-12(11)21-14/h1-7H,8H2,(H,20,21).
What are the key properties of 2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole?
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole has a molecular weight of 371.16 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole is sourced from PubChem (CID 89482987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).