N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide

C27H18F3N3O2S — CID 25192510

IUPACN-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2nc(-c3ccc(C(=O)c4ccccc4C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C27H18F3N3O2S/c28-27(29,30)21-6-2-1-5-20(21)24(34)16-7-9-17(10-8-16)25-32-22-12-11-18(14-23(22)33-25)26(35)31-15-19-4-3-13-36-19/h1-14H,15H2,(H,31,35)(H,32,33)
InChIKeyPDTCYJQLLREKJP-UHFFFAOYSA-N
MW505.52 g/mol
LogP6.47
Rot. Bonds6

About N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide

N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 25192510) has the molecular formula C27H18F3N3O2S and a molecular weight of 505.52 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID25192510
Molecular FormulaC27H18F3N3O2S
Molecular Weight505.52 g/mol
Exact Mass505.11
IUPAC NameN-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2nc(-c3ccc(C(=O)c4ccccc4C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C27H18F3N3O2S/c28-27(29,30)21-6-2-1-5-20(21)24(34)16-7-9-17(10-8-16)25-32-22-12-11-18(14-23(22)33-25)26(35)31-15-19-4-3-13-36-19/h1-14H,15H2,(H,31,35)(H,32,33)
InChIKeyPDTCYJQLLREKJP-UHFFFAOYSA-N
XLogP6.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.52
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-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 N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 25192510) is N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide is O=C(NCc1cccs1)c1ccc2nc(-c3ccc(C(=O)c4ccccc4C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is PDTCYJQLLREKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3O2S/c28-27(29,30)21-6-2-1-5-20(21)24(34)16-7-9-17(10-8-16)25-32-22-12-11-18(14-23(22)33-25)26(35)31-15-19-4-3-13-36-19/h1-14H,15H2,(H,31,35)(H,32,33).
What are the key properties of N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide?
N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 505.52 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-[4-[2-(trifluoromethyl)benzoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 25192510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).