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

C20H12F6N4O — CID 11201452

IUPAC6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cccc(Oc2ncccc2Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C20H12F6N4O/c21-19(22,23)11-3-1-4-13(9-11)31-17-15(5-2-8-27-17)29-18-28-14-7-6-12(20(24,25)26)10-16(14)30-18/h1-10H,(H2,28,29,30)
InChIKeyNXLVLDHFHNFZHH-UHFFFAOYSA-N
MW438.33 g/mol
LogP6.53
Rot. Bonds4

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

6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 11201452) has the molecular formula C20H12F6N4O and a molecular weight of 438.33 g/mol. Its IUPAC name is 6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID11201452
Molecular FormulaC20H12F6N4O
Molecular Weight438.33 g/mol
Exact Mass438.09
IUPAC Name6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cccc(Oc2ncccc2Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C20H12F6N4O/c21-19(22,23)11-3-1-4-13(9-11)31-17-15(5-2-8-27-17)29-18-28-14-7-6-12(20(24,25)26)10-16(14)30-18/h1-10H,(H2,28,29,30)
InChIKeyNXLVLDHFHNFZHH-UHFFFAOYSA-N
XLogP6.53
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

Raf265
CID 11656518
1-(2-fluoro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949613
Benzimidazole deriv. 5
CID 5329405
Benzimidazole-urea, 33
CID 10206527
Benzimidazole-urea, 31
CID 10278843
Imidazopyridine-urea, 44
CID 10278844
N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 16731782
(4-chloro-3-trifluoromethyl-phenyl)-[5-(pyridin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755722
1-[7-(benzyloxy)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-3-ethylurea
CID 21366049
2-{4-[(6,7-Difluoro-1h-Benzimidazol-2-Yl)amino]phenoxy}-N-Methyl-3,4'-Bipyridin-2'-Amine
CID 24983496
2-[(4-{[3-(Trifluoromethyl)pyridin-2-Yl]oxy}phenyl)amino]-1h-Benzimidazole-6-Carbonitrile
CID 59326984
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (CID 11201452) is 6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is FC(F)(F)c1cccc(Oc2ncccc2Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of 6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is NXLVLDHFHNFZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N4O/c21-19(22,23)11-3-1-4-13(9-11)31-17-15(5-2-8-27-17)29-18-28-14-7-6-12(20(24,25)26)10-16(14)30-18/h1-10H,(H2,28,29,30).
What are the key properties of 6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 438.33 g/mol, XLogP of 6.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 11201452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).