5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

C20H13BrF3N3O2S — CID 10458490

IUPAC5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccc(Br)cc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H13BrF3N3O2S/c21-12-5-6-14-15(7-12)27(10-26-14)17-8-16(18(30-17)19(25)28)29-9-11-3-1-2-4-13(11)20(22,23)24/h1-8,10H,9H2,(H2,25,28)
InChIKeyTVTINSNESRAREL-UHFFFAOYSA-N
MW496.31 g/mol
LogP5.55
Rot. Bonds5

About 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (PubChem CID 10458490) has the molecular formula C20H13BrF3N3O2S and a molecular weight of 496.31 g/mol. Its IUPAC name is 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
PubChem CID10458490
Molecular FormulaC20H13BrF3N3O2S
Molecular Weight496.31 g/mol
Exact Mass494.99
IUPAC Name5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccc(Br)cc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H13BrF3N3O2S/c21-12-5-6-14-15(7-12)27(10-26-14)17-8-16(18(30-17)19(25)28)29-9-11-3-1-2-4-13(11)20(22,23)24/h1-8,10H,9H2,(H2,25,28)
InChIKeyTVTINSNESRAREL-UHFFFAOYSA-N
XLogP5.55
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.31
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-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 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (CID 10458490) is 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is NC(=O)c1sc(-n2cnc3ccc(Br)cc32)cc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The InChIKey is TVTINSNESRAREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrF3N3O2S/c21-12-5-6-14-15(7-12)27(10-26-14)17-8-16(18(30-17)19(25)28)29-9-11-3-1-2-4-13(11)20(22,23)24/h1-8,10H,9H2,(H2,25,28).
What are the key properties of 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide has a molecular weight of 496.31 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 10458490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).