6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine

C15H11BrF3N3 — CID 82564742

IUPAC6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1ccccc1CNc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C15H11BrF3N3/c16-10-5-6-12-13(7-10)22-14(21-12)20-8-9-3-1-2-4-11(9)15(17,18)19/h1-7H,8H2,(H2,20,21,22)
InChIKeyUGLOCIJXLVZFPB-UHFFFAOYSA-N
MW370.17 g/mol
LogP4.96
Rot. Bonds3

About 6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine

6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 82564742) has the molecular formula C15H11BrF3N3 and a molecular weight of 370.17 g/mol. Its IUPAC name is 6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
PubChem CID82564742
Molecular FormulaC15H11BrF3N3
Molecular Weight370.17 g/mol
Exact Mass369.01
IUPAC Name6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1ccccc1CNc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C15H11BrF3N3/c16-10-5-6-12-13(7-10)22-14(21-12)20-8-9-3-1-2-4-11(9)15(17,18)19/h1-7H,8H2,(H2,20,21,22)
InChIKeyUGLOCIJXLVZFPB-UHFFFAOYSA-N
XLogP4.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 82564660
2-[(2-fluorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
CID 82563097
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770
6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 82563510
4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 65468894
4-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136741567
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483
5-N-(2-methoxyethyl)-2-N-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-2,5-diamine
CID 141181204
2-[[5-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 107286631
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585
6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole
CID 119085035

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine (CID 82564742) is 6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine is FC(F)(F)c1ccccc1CNc1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is UGLOCIJXLVZFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3N3/c16-10-5-6-12-13(7-10)22-14(21-12)20-8-9-3-1-2-4-11(9)15(17,18)19/h1-7H,8H2,(H2,20,21,22).
What are the key properties of 6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 370.17 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 82564742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).