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

C25H26N4O3S — CID 51355153

IUPAC5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide
SMILESCN1CCC(Oc2ccc3ncn(-c4cc(OCc5ccccc5)c(C(N)=O)s4)c3c2)CC1
InChIInChI=1S/C25H26N4O3S/c1-28-11-9-18(10-12-28)32-19-7-8-20-21(13-19)29(16-27-20)23-14-22(24(33-23)25(26)30)31-15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3,(H2,26,30)
InChIKeyGVKBBYXGXQFMBY-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.24
Rot. Bonds7

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

5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide (PubChem CID 51355153) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide
PubChem CID51355153
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide
SMILESCN1CCC(Oc2ccc3ncn(-c4cc(OCc5ccccc5)c(C(N)=O)s4)c3c2)CC1
InChIInChI=1S/C25H26N4O3S/c1-28-11-9-18(10-12-28)32-19-7-8-20-21(13-19)29(16-27-20)23-14-22(24(33-23)25(26)30)31-15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3,(H2,26,30)
InChIKeyGVKBBYXGXQFMBY-UHFFFAOYSA-N
XLogP4.24
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.24
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-phenylmethoxythiophene-2-carboxamide?
The IUPAC name of 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide (CID 51355153) is 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide.
What is the SMILES notation for 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide?
The canonical SMILES for 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide is CN1CCC(Oc2ccc3ncn(-c4cc(OCc5ccccc5)c(C(N)=O)s4)c3c2)CC1.
What is the InChIKey of 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide?
The InChIKey is GVKBBYXGXQFMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-28-11-9-18(10-12-28)32-19-7-8-20-21(13-19)29(16-27-20)23-14-22(24(33-23)25(26)30)31-15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3,(H2,26,30).
What are the key properties of 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide?
5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-phenylmethoxythiophene-2-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 4.24, 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-phenylmethoxythiophene-2-carboxamide is sourced from PubChem (CID 51355153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).