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

C19H11ClF4N4O — CID 11293135

IUPAC5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESFc1cc2[nH]c(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)nc2cc1Cl
InChIInChI=1S/C19H11ClF4N4O/c20-12-8-15-16(9-13(12)21)28-18(27-15)26-14-5-2-6-25-17(14)29-11-4-1-3-10(7-11)19(22,23)24/h1-9H,(H2,26,27,28)
InChIKeyGFXBCPFZQMODLN-UHFFFAOYSA-N
MW422.77 g/mol
LogP6.31
Rot. Bonds4

About 5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine

5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 11293135) has the molecular formula C19H11ClF4N4O and a molecular weight of 422.77 g/mol. Its IUPAC name is 5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID11293135
Molecular FormulaC19H11ClF4N4O
Molecular Weight422.77 g/mol
Exact Mass422.06
IUPAC Name5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESFc1cc2[nH]c(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)nc2cc1Cl
InChIInChI=1S/C19H11ClF4N4O/c20-12-8-15-16(9-13(12)21)28-18(27-15)26-14-5-2-6-25-17(14)29-11-4-1-3-10(7-11)19(22,23)24/h1-9H,(H2,26,27,28)
InChIKeyGFXBCPFZQMODLN-UHFFFAOYSA-N
XLogP6.31
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.77
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
CID 11441710
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 69292411
N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine
CID 11463953
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11408561
1-(2-aminophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiourea
CID 143083004
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine
CID 11337855
4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
CID 143028856
6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
CID 2112207
4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 21037137
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-[[2-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1H-benzimidazol-2-amine
CID 143424823
N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine
CID 170765023

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (CID 11293135) is 5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is Fc1cc2[nH]c(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)nc2cc1Cl.
What is the InChIKey of 5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is GFXBCPFZQMODLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF4N4O/c20-12-8-15-16(9-13(12)21)28-18(27-15)26-14-5-2-6-25-17(14)29-11-4-1-3-10(7-11)19(22,23)24/h1-9H,(H2,26,27,28).
What are the key properties of 5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 422.77 g/mol, XLogP of 6.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 11293135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).