5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

C26H25F3N4O4S — CID 10325156

IUPAC5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccc(OCCN4CCOCC4)cc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C26H25F3N4O4S/c27-26(28,29)19-4-2-1-3-17(19)15-37-22-14-23(38-24(22)25(30)34)33-16-31-20-6-5-18(13-21(20)33)36-12-9-32-7-10-35-11-8-32/h1-6,13-14,16H,7-12,15H2,(H2,30,34)
InChIKeyOMHZWUJZAXDSEE-UHFFFAOYSA-N
MW546.57 g/mol
LogP4.49
Rot. Bonds9

About 5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide

5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (PubChem CID 10325156) has the molecular formula C26H25F3N4O4S and a molecular weight of 546.57 g/mol. Its IUPAC name is 5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
PubChem CID10325156
Molecular FormulaC26H25F3N4O4S
Molecular Weight546.57 g/mol
Exact Mass546.15
IUPAC Name5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3ccc(OCCN4CCOCC4)cc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C26H25F3N4O4S/c27-26(28,29)19-4-2-1-3-17(19)15-37-22-14-23(38-24(22)25(30)34)33-16-31-20-6-5-18(13-21(20)33)36-12-9-32-7-10-35-11-8-32/h1-6,13-14,16H,7-12,15H2,(H2,30,34)
InChIKeyOMHZWUJZAXDSEE-UHFFFAOYSA-N
XLogP4.49
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (CID 10325156) is 5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is NC(=O)c1sc(-n2cnc3ccc(OCCN4CCOCC4)cc32)cc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The InChIKey is OMHZWUJZAXDSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O4S/c27-26(28,29)19-4-2-1-3-17(19)15-37-22-14-23(38-24(22)25(30)34)33-16-31-20-6-5-18(13-21(20)33)36-12-9-32-7-10-35-11-8-32/h1-6,13-14,16H,7-12,15H2,(H2,30,34).
What are the key properties of 5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide has a molecular weight of 546.57 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 10325156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).