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

C27H28N4O2 — CID 11575815

IUPAC2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCC4CCCN(Cc5ccccc5)C4)cc3)[nH]c2c1
InChIInChI=1S/C27H28N4O2/c28-26(32)22-10-13-24-25(15-22)30-27(29-24)21-8-11-23(12-9-21)33-18-20-7-4-14-31(17-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,20H,4,7,14,16-18H2,(H2,28,32)(H,29,30)
InChIKeyNVMKARZSQDEILW-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.62
Rot. Bonds7

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

2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11575815) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11575815
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCC4CCCN(Cc5ccccc5)C4)cc3)[nH]c2c1
InChIInChI=1S/C27H28N4O2/c28-26(32)22-10-13-24-25(15-22)30-27(29-24)21-8-11-23(12-9-21)33-18-20-7-4-14-31(17-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,20H,4,7,14,16-18H2,(H2,28,32)(H,29,30)
InChIKeyNVMKARZSQDEILW-UHFFFAOYSA-N
XLogP4.62
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11575815) is 2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OCC4CCCN(Cc5ccccc5)C4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is NVMKARZSQDEILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c28-26(32)22-10-13-24-25(15-22)30-27(29-24)21-8-11-23(12-9-21)33-18-20-7-4-14-31(17-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,20H,4,7,14,16-18H2,(H2,28,32)(H,29,30).
What are the key properties of 2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-benzylpiperidin-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11575815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).