4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide

C25H18F3N5OS — CID 90467412

IUPAC4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide
SMILESCc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1Nc1nc(-c2ccc(C(N)=O)cc2)cs1
InChIInChI=1S/C25H18F3N5OS/c1-13-10-19-20(31-23(30-19)16-6-8-17(9-7-16)25(26,27)28)11-18(13)32-24-33-21(12-35-24)14-2-4-15(5-3-14)22(29)34/h2-12H,1H3,(H2,29,34)(H,30,31)(H,32,33)
InChIKeyFHIUCXQWWOLSHJ-UHFFFAOYSA-N
MW493.51 g/mol
LogP6.52
Rot. Bonds5

About 4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide

4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide (PubChem CID 90467412) has the molecular formula C25H18F3N5OS and a molecular weight of 493.51 g/mol. Its IUPAC name is 4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide
PubChem CID90467412
Molecular FormulaC25H18F3N5OS
Molecular Weight493.51 g/mol
Exact Mass493.12
IUPAC Name4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide
SMILESCc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1Nc1nc(-c2ccc(C(N)=O)cc2)cs1
InChIInChI=1S/C25H18F3N5OS/c1-13-10-19-20(31-23(30-19)16-6-8-17(9-7-16)25(26,27)28)11-18(13)32-24-33-21(12-35-24)14-2-4-15(5-3-14)22(29)34/h2-12H,1H3,(H2,29,34)(H,30,31)(H,32,33)
InChIKeyFHIUCXQWWOLSHJ-UHFFFAOYSA-N
XLogP6.52
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.51
LogP ≤ 56.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 121363122
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
N-[6-methyl-2-(4-pyrazol-1-ylphenyl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 90466965
N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 90467537
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine
CID 11740969
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116
2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544581
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23943644
N-[6-methyl-1-propan-2-yl-2-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 90467963

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide (CID 90467412) is 4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide is Cc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1Nc1nc(-c2ccc(C(N)=O)cc2)cs1.
What is the InChIKey of 4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide?
The InChIKey is FHIUCXQWWOLSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5OS/c1-13-10-19-20(31-23(30-19)16-6-8-17(9-7-16)25(26,27)28)11-18(13)32-24-33-21(12-35-24)14-2-4-15(5-3-14)22(29)34/h2-12H,1H3,(H2,29,34)(H,30,31)(H,32,33).
What are the key properties of 4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide?
4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide has a molecular weight of 493.51 g/mol, XLogP of 6.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-methyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 90467412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).