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

C23H20F3N5O2S — CID 59821050

IUPAC5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILES[H]/N=C(\N)Cc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1
InChIInChI=1S/C23H20F3N5O2S/c1-12(14-4-2-3-5-15(14)23(24,25)26)33-18-10-20(34-21(18)22(29)32)31-11-30-16-7-6-13(8-17(16)31)9-19(27)28/h2-8,10-12H,9H2,1H3,(H3,27,28)(H2,29,32)/t12-/m1/s1
InChIKeyJISXJBXANIROGI-GFCCVEGCSA-N
MW487.51 g/mol
LogP4.82
Rot. Bonds7

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

5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 59821050) has the molecular formula C23H20F3N5O2S and a molecular weight of 487.51 g/mol. Its IUPAC name is 5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
PubChem CID59821050
Molecular FormulaC23H20F3N5O2S
Molecular Weight487.51 g/mol
Exact Mass487.13
IUPAC Name5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILES[H]/N=C(\N)Cc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1
InChIInChI=1S/C23H20F3N5O2S/c1-12(14-4-2-3-5-15(14)23(24,25)26)33-18-10-20(34-21(18)22(29)32)31-11-30-16-7-6-13(8-17(16)31)9-19(27)28/h2-8,10-12H,9H2,1H3,(H3,27,28)(H2,29,32)/t12-/m1/s1
InChIKeyJISXJBXANIROGI-GFCCVEGCSA-N
XLogP4.82
TPSA120.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-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-(ethenylsulfanylmethyl)benzimidazol-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 143424765
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
5-[6-(piperazin-1-ylmethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylic acid
CID 69120716
5-[6-[(4-benzoylpiperazin-1-yl)methyl]imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 68768515
5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 68766486
5-[6-[(4S)-azepan-4-yl]oxybenzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 59821244
[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

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (CID 59821050) is 5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is [H]/N=C(\N)Cc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1.
What is the InChIKey of 5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The InChIKey is JISXJBXANIROGI-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H20F3N5O2S/c1-12(14-4-2-3-5-15(14)23(24,25)26)33-18-10-20(34-21(18)22(29)32)31-11-30-16-7-6-13(8-17(16)31)9-19(27)28/h2-8,10-12H,9H2,1H3,(H3,27,28)(H2,29,32)/t12-/m1/s1.
What are the key properties of 5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-amino-2-iminoethyl)benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 59821050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).