6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C20H12F6N4 — CID 118094837

IUPAC6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cccc(-n3c(C(F)(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C20H12F6N4/c21-19(22,23)12-8-10-13(11-9-12)27-16-6-3-7-17(29-16)30-15-5-2-1-4-14(15)28-18(30)20(24,25)26/h1-11H,(H,27,29)
InChIKeySQYTWCGCLNZOBP-UHFFFAOYSA-N
MW422.33 g/mol
LogP6.20
Rot. Bonds3

About 6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 118094837) has the molecular formula C20H12F6N4 and a molecular weight of 422.33 g/mol. Its IUPAC name is 6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID118094837
Molecular FormulaC20H12F6N4
Molecular Weight422.33 g/mol
Exact Mass422.10
IUPAC Name6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cccc(-n3c(C(F)(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C20H12F6N4/c21-19(22,23)12-8-10-13(11-9-12)27-16-6-3-7-17(29-16)30-15-5-2-1-4-14(15)28-18(30)20(24,25)26/h1-11H,(H,27,29)
InChIKeySQYTWCGCLNZOBP-UHFFFAOYSA-N
XLogP6.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.33
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095062
N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine
CID 118094951
6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 61229555
6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094427
6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095114
6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 80920368
[(1S)-1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethyl] acetate
CID 118101400
6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 77050703
5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766646
1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole
CID 824435
4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 139972742
2-(trifluoromethyl)-3-[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-ol
CID 118101535

Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 118094837) is 6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is FC(F)(F)c1ccc(Nc2cccc(-n3c(C(F)(F)F)nc4ccccc43)n2)cc1.
What is the InChIKey of 6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is SQYTWCGCLNZOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N4/c21-19(22,23)12-8-10-13(11-9-12)27-16-6-3-7-17(29-16)30-15-5-2-1-4-14(15)28-18(30)20(24,25)26/h1-11H,(H,27,29).
What are the key properties of 6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 422.33 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 118094837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).