1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine

C67H47F15N16O5 — CID 160933103

IUPAC1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine
SMILESFC(F)(F)c1ccc2c(c1)nc(-c1ccccn1)n2-c1ccccn1.Nc1cc(C(F)(F)F)ccc1Nc1ccccn1.Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-].O=C(Nc1cc(C(F)(F)F)ccc1Nc1ccccn1)c1ccccn1.O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccccn1
InChIInChI=1S/C18H13F3N4O.C18H11F3N4.C12H8F3N3O2.C12H10F3N3.C7H5F3N2O2/c19-18(20,21)12-7-8-13(24-16-6-2-4-10-23-16)15(11-12)25-17(26)14-5-1-3-9-22-14;19-18(20,21)12-7-8-15-14(11-12)24-17(13-5-1-3-9-22-13)25(15)16-6-2-4-10-23-16;13-12(14,15)8-4-5-9(10(7-8)18(19)20)17-11-3-1-2-6-16-11;13-12(14,15)8-4-5-10(9(16)7-8)18-11-3-1-2-6-17-11;8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-11H,(H,23,24)(H,25,26);1-11H;1-7H,(H,16,17);1-7H,16H2,(H,17,18);1-3H,11H2
InChIKeySTNAYYWTADQNAK-UHFFFAOYSA-N
MW1441.19 g/mol
LogP18.37
Rot. Bonds12

About 1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine

1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 160933103) has the molecular formula C67H47F15N16O5 and a molecular weight of 1441.19 g/mol. Its IUPAC name is 1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID160933103
Molecular FormulaC67H47F15N16O5
Molecular Weight1441.19 g/mol
Exact Mass1440.37
IUPAC Name1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine
SMILESFC(F)(F)c1ccc2c(c1)nc(-c1ccccn1)n2-c1ccccn1.Nc1cc(C(F)(F)F)ccc1Nc1ccccn1.Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-].O=C(Nc1cc(C(F)(F)F)ccc1Nc1ccccn1)c1ccccn1.O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccccn1
InChIInChI=1S/C18H13F3N4O.C18H11F3N4.C12H8F3N3O2.C12H10F3N3.C7H5F3N2O2/c19-18(20,21)12-7-8-13(24-16-6-2-4-10-23-16)15(11-12)25-17(26)14-5-1-3-9-22-14;19-18(20,21)12-7-8-15-14(11-12)24-17(13-5-1-3-9-22-13)25(15)16-6-2-4-10-23-16;13-12(14,15)8-4-5-9(10(7-8)18(19)20)17-11-3-1-2-6-16-11;13-12(14,15)8-4-5-10(9(16)7-8)18-11-3-1-2-6-17-11;8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-11H,(H,23,24)(H,25,26);1-11H;1-7H,(H,16,17);1-7H,16H2,(H,17,18);1-3H,11H2
InChIKeySTNAYYWTADQNAK-UHFFFAOYSA-N
XLogP18.37
TPSA298.67 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001441.19
LogP ≤ 518.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine with MolForge

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Related Compounds

4-[[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 152841781
[4-[2,1,3-Benzoxadiazol-5-ylmethyl(methyl)amino]piperidin-1-yl]-[4-[[4-(4-fluoro-3-methylanilino)pyrimidin-2-yl]amino]phenyl]methanone
CID 59274764
N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-4-nitrobenzamide
CID 70312846
2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-5-nitrobenzamide
CID 70312987
N-(2,1,3-benzoxadiazol-4-yl)-6-[(2,4-difluorophenyl)methylamino]-2-[5-(trifluoromethyl)pyridin-3-yl]pyrimidine-4-carboxamide
CID 71204076
[6-[[5-Fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]-piperazin-1-ylmethanone
CID 134342341
(4-Ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]methanone
CID 134342395
6-[[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]amino]-N-hydroxypyridine-3-carboxamide
CID 152934832
5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide
CID 153172731
4-[[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-1-yl]methyl]-N-hydroxybenzamide
CID 153212820
N-[2-[[6-(methylamino)-3-pyridinyl]amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyridin-2-amine
CID 157229679
2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-5-methylpyridine-4-carboxamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide
CID 157858026

Frequently Asked Questions

What is the IUPAC name of 1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine (CID 160933103) is 1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine is FC(F)(F)c1ccc2c(c1)nc(-c1ccccn1)n2-c1ccccn1.Nc1cc(C(F)(F)F)ccc1Nc1ccccn1.Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-].O=C(Nc1cc(C(F)(F)F)ccc1Nc1ccccn1)c1ccccn1.O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccccn1.
What is the InChIKey of 1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is STNAYYWTADQNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O.C18H11F3N4.C12H8F3N3O2.C12H10F3N3.C7H5F3N2O2/c19-18(20,21)12-7-8-13(24-16-6-2-4-10-23-16)15(11-12)25-17(26)14-5-1-3-9-22-14;19-18(20,21)12-7-8-15-14(11-12)24-17(13-5-1-3-9-22-13)25(15)16-6-2-4-10-23-16;13-12(14,15)8-4-5-9(10(7-8)18(19)20)17-11-3-1-2-6-16-11;13-12(14,15)8-4-5-10(9(16)7-8)18-11-3-1-2-6-17-11;8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-11H,(H,23,24)(H,25,26);1-11H;1-7H,(H,16,17);1-7H,16H2,(H,17,18);1-3H,11H2.
What are the key properties of 1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine?
1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 1441.19 g/mol, XLogP of 18.37, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipyridin-2-yl-5-(trifluoromethyl)benzimidazole;2-nitro-4-(trifluoromethyl)aniline;N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[2-(pyridin-2-ylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-pyridin-2-yl-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 160933103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).