5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

C24H20F3N3O2S2 — CID 143424765

IUPAC5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESC=CSCc1ccc2ncn(-c3cc(OC(C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1
InChIInChI=1S/C24H20F3N3O2S2/c1-3-33-12-15-8-9-18-19(10-15)30(13-29-18)21-11-20(22(34-21)23(28)31)32-14(2)16-6-4-5-7-17(16)24(25,26)27/h3-11,13-14H,1,12H2,2H3,(H2,28,31)
InChIKeyVCYOVNYBCXWGSV-UHFFFAOYSA-N
MW503.57 g/mol
LogP6.72
Rot. Bonds8

About 5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 143424765) has the molecular formula C24H20F3N3O2S2 and a molecular weight of 503.57 g/mol. Its IUPAC name is 5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
PubChem CID143424765
Molecular FormulaC24H20F3N3O2S2
Molecular Weight503.57 g/mol
Exact Mass503.09
IUPAC Name5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESC=CSCc1ccc2ncn(-c3cc(OC(C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1
InChIInChI=1S/C24H20F3N3O2S2/c1-3-33-12-15-8-9-18-19(10-15)30(13-29-18)21-11-20(22(34-21)23(28)31)32-14(2)16-6-4-5-7-17(16)24(25,26)27/h3-11,13-14H,1,12H2,2H3,(H2,28,31)
InChIKeyVCYOVNYBCXWGSV-UHFFFAOYSA-N
XLogP6.72
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.57
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]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

Related Compounds

5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 59821050
5-(6-methoxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 53338692
methyl 5-[6-(chloromethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
CID 76582610
5-[6-(aminomethyl)imidazo[4,5-c]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 68766994
5-[6-[(1-methylpiperidin-4-yl)methoxy]benzimidazol-1-yl]-3-[(1S)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 44573303
ethyl 5-[6-(2,2-dimethylpropanoyloxymethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
CID 154552286
5-(6-piperidin-4-yloxybenzimidazol-1-yl)-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 56657583
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(3-oxopropyl)benzimidazol-1-yl]thiophene-2-carboxamide
CID 59821102
5-[6-(piperazin-1-ylmethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylic acid
CID 69120716
[3-[5-carbamoyl-4-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophen-2-yl]benzimidazol-5-yl] N-methyl-N-[3-(methylamino)propyl]sulfamate
CID 143424784
methyl 5-[6-(chloromethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(1,1-difluoroethyl)phenyl]ethoxy]thiophene-2-carboxylate
CID 89371821
5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 68766486

Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (CID 143424765) is 5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is C=CSCc1ccc2ncn(-c3cc(OC(C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1.
What is the InChIKey of 5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The InChIKey is VCYOVNYBCXWGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2S2/c1-3-33-12-15-8-9-18-19(10-15)30(13-29-18)21-11-20(22(34-21)23(28)31)32-14(2)16-6-4-5-7-17(16)24(25,26)27/h3-11,13-14H,1,12H2,2H3,(H2,28,31).
What are the key properties of 5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 503.57 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 143424765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).