3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide

C27H19F3N4O2S — CID 44523583

IUPAC3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)c2)c1
InChIInChI=1S/C27H19F3N4O2S/c1-15(35)31-19-6-3-5-17(13-19)26(36)32-20-7-2-4-16(12-20)23-10-11-24(37-23)25-33-21-9-8-18(27(28,29)30)14-22(21)34-25/h2-14H,1H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyBOJUJWFZVOMCIL-UHFFFAOYSA-N
MW520.54 g/mol
LogP7.19
Rot. Bonds5

About 3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide

3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide (PubChem CID 44523583) has the molecular formula C27H19F3N4O2S and a molecular weight of 520.54 g/mol. Its IUPAC name is 3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide
PubChem CID44523583
Molecular FormulaC27H19F3N4O2S
Molecular Weight520.54 g/mol
Exact Mass520.12
IUPAC Name3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)c2)c1
InChIInChI=1S/C27H19F3N4O2S/c1-15(35)31-19-6-3-5-17(13-19)26(36)32-20-7-2-4-16(12-20)23-10-11-24(37-23)25-33-21-9-8-18(27(28,29)30)14-22(21)34-25/h2-14H,1H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyBOJUJWFZVOMCIL-UHFFFAOYSA-N
XLogP7.19
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.54
LogP ≤ 57.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide 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 3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide (CID 44523583) is 3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)c2)c1.
What is the InChIKey of 3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide?
The InChIKey is BOJUJWFZVOMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O2S/c1-15(35)31-19-6-3-5-17(13-19)26(36)32-20-7-2-4-16(12-20)23-10-11-24(37-23)25-33-21-9-8-18(27(28,29)30)14-22(21)34-25/h2-14H,1H3,(H,31,35)(H,32,36)(H,33,34).
What are the key properties of 3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide?
3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide has a molecular weight of 520.54 g/mol, XLogP of 7.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide is sourced from PubChem (CID 44523583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).