4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine

C20H11ClF6N4O — CID 11442849

IUPAC4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cccc(Oc2ncccc2Nc2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C20H11ClF6N4O/c21-13-8-11(20(25,26)27)9-15-16(13)31-18(30-15)29-14-5-2-6-28-17(14)32-12-4-1-3-10(7-12)19(22,23)24/h1-9H,(H2,29,30,31)
InChIKeyAZGQRWKAHYUSLF-UHFFFAOYSA-N
MW472.78 g/mol
LogP7.18
Rot. Bonds4

About 4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine

4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 11442849) has the molecular formula C20H11ClF6N4O and a molecular weight of 472.78 g/mol. Its IUPAC name is 4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID11442849
Molecular FormulaC20H11ClF6N4O
Molecular Weight472.78 g/mol
Exact Mass472.05
IUPAC Name4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cccc(Oc2ncccc2Nc2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C20H11ClF6N4O/c21-13-8-11(20(25,26)27)9-15-16(13)31-18(30-15)29-14-5-2-6-28-17(14)32-12-4-1-3-10(7-12)19(22,23)24/h1-9H,(H2,29,30,31)
InChIKeyAZGQRWKAHYUSLF-UHFFFAOYSA-N
XLogP7.18
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.78
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3-trifluoromethyl-phenyl)-[5-(pyridin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755722
2-[(4-{[3-(Trifluoromethyl)pyridin-2-Yl]oxy}phenyl)amino]-1h-Benzimidazole-6-Carbonitrile
CID 59326984
3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine
CID 10316980
1-(2-chloro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949611
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine
CID 16745085
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-6-fluoro-1H-benzimidazol-2-amine
CID 16745086
N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,6-difluoro-1H-benzimidazol-2-amine
CID 16745241
N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851589
4-Chloro-6-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl}-1H-benzimidazole
CID 25105311
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]urea
CID 56966055
1-[2-chloro-4-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 56966274
6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
CID 70687214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (CID 11442849) is 4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is FC(F)(F)c1cccc(Oc2ncccc2Nc2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of 4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is AZGQRWKAHYUSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF6N4O/c21-13-8-11(20(25,26)27)9-15-16(13)31-18(30-15)29-14-5-2-6-28-17(14)32-12-4-1-3-10(7-12)19(22,23)24/h1-9H,(H2,29,30,31).
What are the key properties of 4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 472.78 g/mol, XLogP of 7.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 11442849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).