4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine

C60H43F11N14O2 — CID 158232653

IUPAC4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
SMILESCc1nc2ccccc2n1-c1cc(F)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(F)cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1.Cc1nc2ccccc2n1-c1cc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H13F4N5O2.C20H14F4N4.C20H16F3N5/c1-11-25-14-4-2-3-5-16(14)28(11)19-10-13(21)9-18(27-19)26-15-7-6-12(20(22,23)24)8-17(15)29(30)31;1-12-25-16-4-2-3-5-17(16)28(12)19-11-14(21)10-18(27-19)26-15-8-6-13(7-9-15)20(22,23)24;1-12-25-16-4-2-3-5-17(16)28(12)19-11-14(24)10-18(27-19)26-15-8-6-13(7-9-15)20(21,22)23/h2-10H,1H3,(H,26,27);2-11H,1H3,(H,26,27);2-11H,1H3,(H3,24,26,27)
InChIKeyGEOKXWVDLVJMRY-UHFFFAOYSA-N
MW1201.08 g/mol
LogP16.24
Rot. Bonds10

About 4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine

4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine (PubChem CID 158232653) has the molecular formula C60H43F11N14O2 and a molecular weight of 1201.08 g/mol. Its IUPAC name is 4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
PubChem CID158232653
Molecular FormulaC60H43F11N14O2
Molecular Weight1201.08 g/mol
Exact Mass1200.35
IUPAC Name4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
SMILESCc1nc2ccccc2n1-c1cc(F)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(F)cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1.Cc1nc2ccccc2n1-c1cc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H13F4N5O2.C20H14F4N4.C20H16F3N5/c1-11-25-14-4-2-3-5-16(14)28(11)19-10-13(21)9-18(27-19)26-15-7-6-12(20(22,23)24)8-17(15)29(30)31;1-12-25-16-4-2-3-5-17(16)28(12)19-11-14(21)10-18(27-19)26-15-8-6-13(7-9-15)20(22,23)24;1-12-25-16-4-2-3-5-17(16)28(12)19-11-14(24)10-18(27-19)26-15-8-6-13(7-9-15)20(21,22)23/h2-10H,1H3,(H,26,27);2-11H,1H3,(H,26,27);2-11H,1H3,(H3,24,26,27)
InChIKeyGEOKXWVDLVJMRY-UHFFFAOYSA-N
XLogP16.24
TPSA197.38 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001201.08
LogP ≤ 516.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine with MolForge

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Related Compounds

5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 90177151
5-fluoro-2-(2-methyl-6-nitrobenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 90177243
5-fluoro-2-(2-methyl-5-nitrobenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 90178230
4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 118094635
6-(2-methylbenzimidazol-1-yl)-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 118094915
[3-[4-Amino-5-fluoro-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-2-methylbenzimidazol-5-yl]-methoxy-oxoazanium
CID 123558574
[2-[[4-Fluoro-6-(2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]-5-(trifluoromethyl)phenyl]-methoxy-oxoazanium
CID 123751128
2-Phenyl-1-[2,3,6-tris(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)pyridin-4-yl]benzimidazole
CID 134169868
5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482711
6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine
CID 144800303
5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 154975212
1-[3-[4,6-Bis[3-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-fluorophenyl)benzimidazole
CID 155185990

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The IUPAC name of 4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine (CID 158232653) is 4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine.
What is the SMILES notation for 4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The canonical SMILES for 4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine is Cc1nc2ccccc2n1-c1cc(F)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(F)cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1.Cc1nc2ccccc2n1-c1cc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The InChIKey is GEOKXWVDLVJMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2.C20H14F4N4.C20H16F3N5/c1-11-25-14-4-2-3-5-16(14)28(11)19-10-13(21)9-18(27-19)26-15-7-6-12(20(22,23)24)8-17(15)29(30)31;1-12-25-16-4-2-3-5-17(16)28(12)19-11-14(21)10-18(27-19)26-15-8-6-13(7-9-15)20(22,23)24;1-12-25-16-4-2-3-5-17(16)28(12)19-11-14(24)10-18(27-19)26-15-8-6-13(7-9-15)20(21,22)23/h2-10H,1H3,(H,26,27);2-11H,1H3,(H,26,27);2-11H,1H3,(H3,24,26,27).
What are the key properties of 4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine has a molecular weight of 1201.08 g/mol, XLogP of 16.24, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]pyridin-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 158232653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).