2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

C25H24F3N5O2S — CID 58279395

IUPAC2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1csc(NC(=O)c2cccc3[nH]c(-c4ccc(N5CCOC(C)(C)C5)cc4C(F)(F)F)nc23)n1
InChIInChI=1S/C25H24F3N5O2S/c1-14-12-36-23(29-14)32-22(34)17-5-4-6-19-20(17)31-21(30-19)16-8-7-15(11-18(16)25(26,27)28)33-9-10-35-24(2,3)13-33/h4-8,11-12H,9-10,13H2,1-3H3,(H,30,31)(H,29,32,34)
InChIKeySQNAXELIKIWJBP-UHFFFAOYSA-N
MW515.56 g/mol
LogP5.88
Rot. Bonds4

About 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 58279395) has the molecular formula C25H24F3N5O2S and a molecular weight of 515.56 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID58279395
Molecular FormulaC25H24F3N5O2S
Molecular Weight515.56 g/mol
Exact Mass515.16
IUPAC Name2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1csc(NC(=O)c2cccc3[nH]c(-c4ccc(N5CCOC(C)(C)C5)cc4C(F)(F)F)nc23)n1
InChIInChI=1S/C25H24F3N5O2S/c1-14-12-36-23(29-14)32-22(34)17-5-4-6-19-20(17)31-21(30-19)16-8-7-15(11-18(16)25(26,27)28)33-9-10-35-24(2,3)13-33/h4-8,11-12H,9-10,13H2,1-3H3,(H,30,31)(H,29,32,34)
InChIKeySQNAXELIKIWJBP-UHFFFAOYSA-N
XLogP5.88
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.56
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide 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 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 58279395) is 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is Cc1csc(NC(=O)c2cccc3[nH]c(-c4ccc(N5CCOC(C)(C)C5)cc4C(F)(F)F)nc23)n1.
What is the InChIKey of 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is SQNAXELIKIWJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2S/c1-14-12-36-23(29-14)32-22(34)17-5-4-6-19-20(17)31-21(30-19)16-8-7-15(11-18(16)25(26,27)28)33-9-10-35-24(2,3)13-33/h4-8,11-12H,9-10,13H2,1-3H3,(H,30,31)(H,29,32,34).
What are the key properties of 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 515.56 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).