N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide

C26H17ClF3N3O2S — CID 25192357

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C26H17ClF3N3O2S/c27-23-12-10-18(36-23)14-31-25(34)16-7-11-20-21(13-16)33-24(32-20)15-5-8-17(9-6-15)35-22-4-2-1-3-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33)
InChIKeyKNSIPACIJBKWPJ-UHFFFAOYSA-N
MW527.96 g/mol
LogP7.69
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 25192357) has the molecular formula C26H17ClF3N3O2S and a molecular weight of 527.96 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID25192357
Molecular FormulaC26H17ClF3N3O2S
Molecular Weight527.96 g/mol
Exact Mass527.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)c1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C26H17ClF3N3O2S/c27-23-12-10-18(36-23)14-31-25(34)16-7-11-20-21(13-16)33-24(32-20)15-5-8-17(9-6-15)35-22-4-2-1-3-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33)
InChIKeyKNSIPACIJBKWPJ-UHFFFAOYSA-N
XLogP7.69
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.96
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]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-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 25192357) is N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide is O=C(NCc1ccc(Cl)s1)c1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KNSIPACIJBKWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3N3O2S/c27-23-12-10-18(36-23)14-31-25(34)16-7-11-20-21(13-16)33-24(32-20)15-5-8-17(9-6-15)35-22-4-2-1-3-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 527.96 g/mol, XLogP of 7.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 25192357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).