N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C15H12F3N3O — CID 11266784

IUPACN-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C15H12F3N3O/c1-22-11-5-3-10(4-6-11)19-14-20-12-7-2-9(15(16,17)18)8-13(12)21-14/h2-8H,1H3,(H2,19,20,21)
InChIKeyYEYIYVPZEUDFEM-UHFFFAOYSA-N
MW307.28 g/mol
LogP4.33
Rot. Bonds3

About N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 11266784) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID11266784
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC NameN-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C15H12F3N3O/c1-22-11-5-3-10(4-6-11)19-14-20-12-7-2-9(15(16,17)18)8-13(12)21-14/h2-8H,1H3,(H2,19,20,21)
InChIKeyYEYIYVPZEUDFEM-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

2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
5-methoxy-2-methyl-1H-1,3-benzodiazole
CID 3509826
6-methoxy-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9797585
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
Methyl (5-{4-[({[2-Fluoro-5-(Trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-1h-Benzimidazol-2-Yl)carbamate
CID 9935852
Benzimidazole-urea, 46
CID 10141033
Benzimidazole-urea, 16
CID 10184615
2-amino-5-(4-((2-fluoro-5-(trifluoromethyl)phenyl)aminocarbonylamino)phenoxy)-1H-benzimidazole
CID 10275349
Benzimidazole-urea, 30
CID 10300768
Benzimidazole-thiourea, 27
CID 17755642

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 11266784) is N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is COc1ccc(Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is YEYIYVPZEUDFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-22-11-5-3-10(4-6-11)19-14-20-12-7-2-9(15(16,17)18)8-13(12)21-14/h2-8H,1H3,(H2,19,20,21).
What are the key properties of N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
N-(4-methoxyphenyl)-6-(trifluoromethyl)-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 N-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11266784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).