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

C23H15F4N5S — CID 121363122

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

N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 121363122) has the molecular formula C23H15F4N5S and a molecular weight of 469.47 g/mol. Its IUPAC name is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
• PubChem CID: 121363122
• Molecular Formula: C23H15F4N5S
• Molecular Weight: 469.47 g/mol
• Exact Mass: 469.10
• IUPAC Name: N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
• SMILES: Cc1cc2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)nc2cc1Nc1nc(-c2ccncc2)cs1
• InChI: InChI=1S/C23H15F4N5S/c1-12-6-18-19(30-21(29-18)14-7-15(23(25,26)27)9-16(24)8-14)10-17(12)31-22-32-20(11-33-22)13-2-4-28-5-3-13/h2-11H,1H3,(H,29,30)(H,31,32)
• InChIKey: DXADCJXRWSSKGJ-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.47
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazole_amine_M(1)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?

The IUPAC name of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 121363122) is N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?

The canonical SMILES for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine is Cc1cc2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)nc2cc1Nc1nc(-c2ccncc2)cs1.

What is the InChIKey of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?

The InChIKey is DXADCJXRWSSKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N5S/c1-12-6-18-19(30-21(29-18)14-7-15(23(25,26)27)9-16(24)8-14)10-17(12)31-22-32-20(11-33-22)13-2-4-28-5-3-13/h2-11H,1H3,(H,29,30)(H,31,32).

What are the key properties of N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine?

N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 469.47 g/mol, XLogP of 6.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 121363122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).