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

C27H26N4O3 — CID 11496192

IUPAC2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCC4CCN(C(=O)c5ccccc5)CC4)cc3)[nH]c2c1
InChIInChI=1S/C27H26N4O3/c28-25(32)21-8-11-23-24(16-21)30-26(29-23)19-6-9-22(10-7-19)34-17-18-12-14-31(15-13-18)27(33)20-4-2-1-3-5-20/h1-11,16,18H,12-15,17H2,(H2,28,32)(H,29,30)
InChIKeyBNKLZSDGQDGRAW-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.26
Rot. Bonds6

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

2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11496192) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11496192
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCC4CCN(C(=O)c5ccccc5)CC4)cc3)[nH]c2c1
InChIInChI=1S/C27H26N4O3/c28-25(32)21-8-11-23-24(16-21)30-26(29-23)19-6-9-22(10-7-19)34-17-18-12-14-31(15-13-18)27(33)20-4-2-1-3-5-20/h1-11,16,18H,12-15,17H2,(H2,28,32)(H,29,30)
InChIKeyBNKLZSDGQDGRAW-UHFFFAOYSA-N
XLogP4.26
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11496192) is 2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OCC4CCN(C(=O)c5ccccc5)CC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is BNKLZSDGQDGRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c28-25(32)21-8-11-23-24(16-21)30-26(29-23)19-6-9-22(10-7-19)34-17-18-12-14-31(15-13-18)27(33)20-4-2-1-3-5-20/h1-11,16,18H,12-15,17H2,(H2,28,32)(H,29,30).
What are the key properties of 2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-benzoylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11496192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).