4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C19H12ClF3N4O — CID 11338669

IUPAC4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Cl)c2nc(Nc3ccc(Oc4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C19H12ClF3N4O/c20-15-8-11(19(21,22)23)9-16-17(15)27-18(26-16)25-12-3-5-13(6-4-12)28-14-2-1-7-24-10-14/h1-10H,(H2,25,26,27)
InChIKeyPJVZFTGQRVHCSS-UHFFFAOYSA-N
MW404.78 g/mol
LogP6.17
Rot. Bonds4

About 4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 11338669) has the molecular formula C19H12ClF3N4O and a molecular weight of 404.78 g/mol. Its IUPAC name is 4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID11338669
Molecular FormulaC19H12ClF3N4O
Molecular Weight404.78 g/mol
Exact Mass404.07
IUPAC Name4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Cl)c2nc(Nc3ccc(Oc4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C19H12ClF3N4O/c20-15-8-11(19(21,22)23)9-16-17(15)27-18(26-16)25-12-3-5-13(6-4-12)28-14-2-1-7-24-10-14/h1-10H,(H2,25,26,27)
InChIKeyPJVZFTGQRVHCSS-UHFFFAOYSA-N
XLogP6.17
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-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)-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755115
(4-chloro-3-trifluoromethyl-phenyl)-[5-(pyridin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755722
Pyridoimidazolone, 5d
CID 42626192
2-[(4-{[3-(Trifluoromethyl)pyridin-2-Yl]oxy}phenyl)amino]-1h-Benzimidazole-6-Carbonitrile
CID 59326984
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-(2-chloro-4-{[5-(2-methoxyethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 52941234
1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]urea
CID 52941519
N-(2-chloro-4-{[5-(2-hydroxyethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 52943668
1-(2-Chloro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea
CID 52945805

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 11338669) is 4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is FC(F)(F)c1cc(Cl)c2nc(Nc3ccc(Oc4cccnc4)cc3)[nH]c2c1.
What is the InChIKey of 4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is PJVZFTGQRVHCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O/c20-15-8-11(19(21,22)23)9-16-17(15)27-18(26-16)25-12-3-5-13(6-4-12)28-14-2-1-7-24-10-14/h1-10H,(H2,25,26,27).
What are the key properties of 4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 404.78 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11338669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).