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

C15H12F3N3O — CID 82562585

IUPAC6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(Nc3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C15H12F3N3O/c1-22-9-6-7-12-13(8-9)21-14(20-12)19-11-5-3-2-4-10(11)15(16,17)18/h2-8H,1H3,(H2,19,20,21)
InChIKeyFQCUGLZXHNFRNL-UHFFFAOYSA-N
MW307.28 g/mol
LogP4.33
Rot. Bonds3

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

6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine (PubChem CID 82562585) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
PubChem CID82562585
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(Nc3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C15H12F3N3O/c1-22-9-6-7-12-13(8-9)21-14(20-12)19-11-5-3-2-4-10(11)15(16,17)18/h2-8H,1H3,(H2,19,20,21)
InChIKeyFQCUGLZXHNFRNL-UHFFFAOYSA-N
XLogP4.33
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
5-N-(2-methoxyethyl)-2-N-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-2,5-diamine
CID 141181204
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
CID 82562590
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine
CID 23575380
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
6-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 141181263
N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide
CID 67234065
N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 15602783
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole
CID 119085033
7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
CID 11806856

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine (CID 82562585) is 6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine is COc1ccc2nc(Nc3ccccc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The InChIKey is FQCUGLZXHNFRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-22-9-6-7-12-13(8-9)21-14(20-12)19-11-5-3-2-4-10(11)15(16,17)18/h2-8H,1H3,(H2,19,20,21).
What are the key properties of 6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine has a molecular weight of 307.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 82562585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).