1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine

C23H20F3N3O3S — CID 91827384

IUPAC1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine
SMILESC=C(N)c1sc(-n2cnc3cc(OC)c(OC)cc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C23H20F3N3O3S/c1-13(27)22-20(32-11-14-6-4-5-7-15(14)23(24,25)26)10-21(33-22)29-12-28-16-8-18(30-2)19(31-3)9-17(16)29/h4-10,12H,1,11,27H2,2-3H3
InChIKeySYQIMXCJFHFKLG-UHFFFAOYSA-N
MW475.49 g/mol
LogP5.63
Rot. Bonds7

About 1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine

1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine (PubChem CID 91827384) has the molecular formula C23H20F3N3O3S and a molecular weight of 475.49 g/mol. Its IUPAC name is 1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine.

Molecular Properties

Compound Name1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine
PubChem CID91827384
Molecular FormulaC23H20F3N3O3S
Molecular Weight475.49 g/mol
Exact Mass475.12
IUPAC Name1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine
SMILESC=C(N)c1sc(-n2cnc3cc(OC)c(OC)cc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C23H20F3N3O3S/c1-13(27)22-20(32-11-14-6-4-5-7-15(14)23(24,25)26)10-21(33-22)29-12-28-16-8-18(30-2)19(31-3)9-17(16)29/h4-10,12H,1,11,27H2,2-3H3
InChIKeySYQIMXCJFHFKLG-UHFFFAOYSA-N
XLogP5.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.49
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5,6-Bis(methyloxy)-1H-benzimidazol-1-YL)-3-((1-(2-chlorophenyl)ethyl)oxy)-2-thiophenecarboxamide
CID 11957417
GW843682X
CID 9826308
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethoxy)phenyl]methoxy}thiophene-2-carboxamide
CID 9983158
5-(6-methoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide
CID 10253033
3-[(2-bromophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 10254917
5-(1H-Benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide
CID 10409707
5-[5-(3-hydroxypropoxy)-6-methoxy-1H-1,3-benzodiazol-1-yl]-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carbonitrile
CID 11584228
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-(oxolan-2-ylmethoxy)thiophene-2-carbonitrile
CID 11625181
Gsk-319347A
CID 11626927
5-{6-methoxy-5-[2-(morpholin-4-yl)ethoxy]-1H-1,3-benzodiazol-1-yl}-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carbonitrile
CID 11706720
5-(1H-Benzimidazol-1-yl)-3-[(phenylmethyl)oxy]-2-thiophenecarbonitrile
CID 11709714
3-[(3-aminophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 11743086

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine?
The IUPAC name of 1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine (CID 91827384) is 1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine.
What is the SMILES notation for 1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine?
The canonical SMILES for 1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine is C=C(N)c1sc(-n2cnc3cc(OC)c(OC)cc32)cc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine?
The InChIKey is SYQIMXCJFHFKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3S/c1-13(27)22-20(32-11-14-6-4-5-7-15(14)23(24,25)26)10-21(33-22)29-12-28-16-8-18(30-2)19(31-3)9-17(16)29/h4-10,12H,1,11,27H2,2-3H3.
What are the key properties of 1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine?
1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine has a molecular weight of 475.49 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]ethenamine is sourced from PubChem (CID 91827384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).