5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide

C26H28N4O3S — CID 51355154

IUPAC5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide
SMILESCC(Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1
InChIInChI=1S/C26H28N4O3S/c1-17(18-6-4-3-5-7-18)32-23-15-24(34-25(23)26(27)31)30-16-28-21-9-8-20(14-22(21)30)33-19-10-12-29(2)13-11-19/h3-9,14-17,19H,10-13H2,1-2H3,(H2,27,31)
InChIKeyYNOAKGVICFPGBG-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.80
Rot. Bonds7

About 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide

5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide (PubChem CID 51355154) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide
PubChem CID51355154
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide
SMILESCC(Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1
InChIInChI=1S/C26H28N4O3S/c1-17(18-6-4-3-5-7-18)32-23-15-24(34-25(23)26(27)31)30-16-28-21-9-8-20(14-22(21)30)33-19-10-12-29(2)13-11-19/h3-9,14-17,19H,10-13H2,1-2H3,(H2,27,31)
InChIKeyYNOAKGVICFPGBG-UHFFFAOYSA-N
XLogP4.80
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
The IUPAC name of 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide (CID 51355154) is 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide is CC(Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1.
What is the InChIKey of 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
The InChIKey is YNOAKGVICFPGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-17(18-6-4-3-5-7-18)32-23-15-24(34-25(23)26(27)31)30-16-28-21-9-8-20(14-22(21)30)33-19-10-12-29(2)13-11-19/h3-9,14-17,19H,10-13H2,1-2H3,(H2,27,31).
What are the key properties of 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 51355154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).