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

C26H24F4N4O4S — CID 10076597

IUPAC5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3cc(F)c(OCCN4CCOCC4)cc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C26H24F4N4O4S/c27-18-11-19-20(12-21(18)37-10-7-33-5-8-36-9-6-33)34(15-32-19)23-13-22(24(39-23)25(31)35)38-14-16-3-1-2-4-17(16)26(28,29)30/h1-4,11-13,15H,5-10,14H2,(H2,31,35)
InChIKeyINZNSBQAVOKNOU-UHFFFAOYSA-N
MW564.56 g/mol
LogP4.63
Rot. Bonds9

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

5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (PubChem CID 10076597) has the molecular formula C26H24F4N4O4S and a molecular weight of 564.56 g/mol. Its IUPAC name is 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
PubChem CID10076597
Molecular FormulaC26H24F4N4O4S
Molecular Weight564.56 g/mol
Exact Mass564.15
IUPAC Name5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-n2cnc3cc(F)c(OCCN4CCOCC4)cc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C26H24F4N4O4S/c27-18-11-19-20(12-21(18)37-10-7-33-5-8-36-9-6-33)34(15-32-19)23-13-22(24(39-23)25(31)35)38-14-16-3-1-2-4-17(16)26(28,29)30/h1-4,11-13,15H,5-10,14H2,(H2,31,35)
InChIKeyINZNSBQAVOKNOU-UHFFFAOYSA-N
XLogP4.63
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide (CID 10076597) is 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is NC(=O)c1sc(-n2cnc3cc(F)c(OCCN4CCOCC4)cc32)cc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
The InChIKey is INZNSBQAVOKNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O4S/c27-18-11-19-20(12-21(18)37-10-7-33-5-8-36-9-6-33)34(15-32-19)23-13-22(24(39-23)25(31)35)38-14-16-3-1-2-4-17(16)26(28,29)30/h1-4,11-13,15H,5-10,14H2,(H2,31,35).
What are the key properties of 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide?
5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide has a molecular weight of 564.56 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-6-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 10076597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).