4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine

C25H20F3N5S — CID 42600952

IUPAC4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCCn3c(-c4ccncc4)nc4cc(C(F)(F)F)ccc43)n2)cc1
InChIInChI=1S/C25H20F3N5S/c1-16-2-4-17(5-3-16)21-15-34-24(32-21)30-12-13-33-22-7-6-19(25(26,27)28)14-20(22)31-23(33)18-8-10-29-11-9-18/h2-11,14-15H,12-13H2,1H3,(H,30,32)
InChIKeyOZNWTRWNVHUTEL-UHFFFAOYSA-N
MW479.53 g/mol
LogP6.66
Rot. Bonds6

About 4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine

4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine (PubChem CID 42600952) has the molecular formula C25H20F3N5S and a molecular weight of 479.53 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
PubChem CID42600952
Molecular FormulaC25H20F3N5S
Molecular Weight479.53 g/mol
Exact Mass479.14
IUPAC Name4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCCn3c(-c4ccncc4)nc4cc(C(F)(F)F)ccc43)n2)cc1
InChIInChI=1S/C25H20F3N5S/c1-16-2-4-17(5-3-16)21-15-34-24(32-21)30-12-13-33-22-7-6-19(25(26,27)28)14-20(22)31-23(33)18-8-10-29-11-9-18/h2-11,14-15H,12-13H2,1H3,(H,30,32)
InChIKeyOZNWTRWNVHUTEL-UHFFFAOYSA-N
XLogP6.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.53
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine (CID 42600952) is 4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine is Cc1ccc(-c2csc(NCCn3c(-c4ccncc4)nc4cc(C(F)(F)F)ccc43)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is OZNWTRWNVHUTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5S/c1-16-2-4-17(5-3-16)21-15-34-24(32-21)30-12-13-33-22-7-6-19(25(26,27)28)14-20(22)31-23(33)18-8-10-29-11-9-18/h2-11,14-15H,12-13H2,1H3,(H,30,32).
What are the key properties of 4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine?
4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 479.53 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[2-[2-pyridin-4-yl-5-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 42600952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).