N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide

C28H30N4O2 — CID 3232154

IUPACN-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1
InChIInChI=1S/C28H30N4O2/c33-27(29-24-14-16-31(17-15-24)20-22-9-5-2-6-10-22)23-11-12-26-25(19-23)30-28(34)32(26)18-13-21-7-3-1-4-8-21/h1-12,19,24H,13-18,20H2,(H,29,33)(H,30,34)
InChIKeyHSPZEJIJFALZEA-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.97
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 3232154) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
PubChem CID3232154
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1
InChIInChI=1S/C28H30N4O2/c33-27(29-24-14-16-31(17-15-24)20-22-9-5-2-6-10-22)23-11-12-26-25(19-23)30-28(34)32(26)18-13-21-7-3-1-4-8-21/h1-12,19,24H,13-18,20H2,(H,29,33)(H,30,34)
InChIKeyHSPZEJIJFALZEA-UHFFFAOYSA-N
XLogP3.97
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-benzylpiperidin-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
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2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
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N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51163625

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide (CID 3232154) is N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is HSPZEJIJFALZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c33-27(29-24-14-16-31(17-15-24)20-22-9-5-2-6-10-22)23-11-12-26-25(19-23)30-28(34)32(26)18-13-21-7-3-1-4-8-21/h1-12,19,24H,13-18,20H2,(H,29,33)(H,30,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 3232154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).