6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine

C25H19F3N6 — CID 90466658

IUPAC6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine
SMILESCc1cc2[nH]c(-c3ccc(C)c(C(F)(F)F)c3)nc2cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C25H19F3N6/c1-14-5-6-16(11-18(14)25(26,27)28)23-31-21-10-15(2)20(12-22(21)32-23)34-24-30-9-7-19(33-24)17-4-3-8-29-13-17/h3-13H,1-2H3,(H,31,32)(H,30,33,34)
InChIKeyFMFKLOIFVSYYNA-UHFFFAOYSA-N
MW460.46 g/mol
LogP6.46
Rot. Bonds4

About 6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine

6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine (PubChem CID 90466658) has the molecular formula C25H19F3N6 and a molecular weight of 460.46 g/mol. Its IUPAC name is 6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine
PubChem CID90466658
Molecular FormulaC25H19F3N6
Molecular Weight460.46 g/mol
Exact Mass460.16
IUPAC Name6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine
SMILESCc1cc2[nH]c(-c3ccc(C)c(C(F)(F)F)c3)nc2cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C25H19F3N6/c1-14-5-6-16(11-18(14)25(26,27)28)23-31-21-10-15(2)20(12-22(21)32-23)34-24-30-9-7-19(33-24)17-4-3-8-29-13-17/h3-13H,1-2H3,(H,31,32)(H,30,33,34)
InChIKeyFMFKLOIFVSYYNA-UHFFFAOYSA-N
XLogP6.46
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.46
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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SB-525334
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Methylproamine
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N-(2-aminoethyl)-12-methyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine
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4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine?
The IUPAC name of 6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine (CID 90466658) is 6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine.
What is the SMILES notation for 6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine?
The canonical SMILES for 6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine is Cc1cc2[nH]c(-c3ccc(C)c(C(F)(F)F)c3)nc2cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine?
The InChIKey is FMFKLOIFVSYYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6/c1-14-5-6-16(11-18(14)25(26,27)28)23-31-21-10-15(2)20(12-22(21)32-23)34-24-30-9-7-19(33-24)17-4-3-8-29-13-17/h3-13H,1-2H3,(H,31,32)(H,30,33,34).
What are the key properties of 6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine?
6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine has a molecular weight of 460.46 g/mol, XLogP of 6.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-methyl-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-ylpyrimidin-2-yl)-1H-benzimidazol-5-amine is sourced from PubChem (CID 90466658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).