2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide

C28H28N4O3 — CID 11691280

IUPAC2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCCC4CCN(C(=O)c5ccccc5)CC4)cc3)[nH]c2c1
InChIInChI=1S/C28H28N4O3/c29-26(33)22-8-11-24-25(18-22)31-27(30-24)20-6-9-23(10-7-20)35-17-14-19-12-15-32(16-13-19)28(34)21-4-2-1-3-5-21/h1-11,18-19H,12-17H2,(H2,29,33)(H,30,31)
InChIKeyPTPKJHXHLNLGJX-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.65
Rot. Bonds7

About 2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11691280) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11691280
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCCC4CCN(C(=O)c5ccccc5)CC4)cc3)[nH]c2c1
InChIInChI=1S/C28H28N4O3/c29-26(33)22-8-11-24-25(18-22)31-27(30-24)20-6-9-23(10-7-20)35-17-14-19-12-15-32(16-13-19)28(34)21-4-2-1-3-5-21/h1-11,18-19H,12-17H2,(H2,29,33)(H,30,31)
InChIKeyPTPKJHXHLNLGJX-UHFFFAOYSA-N
XLogP4.65
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11691280) is 2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OCCC4CCN(C(=O)c5ccccc5)CC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is PTPKJHXHLNLGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c29-26(33)22-8-11-24-25(18-22)31-27(30-24)20-6-9-23(10-7-20)35-17-14-19-12-15-32(16-13-19)28(34)21-4-2-1-3-5-21/h1-11,18-19H,12-17H2,(H2,29,33)(H,30,31).
What are the key properties of 2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-benzoylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11691280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).