N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C28H30N4O3 — CID 3232138

IUPACN-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)ccc32)cc1
InChIInChI=1S/C28H30N4O3/c1-35-24-10-7-21(8-11-24)19-32-26-12-9-22(17-25(26)30-28(32)34)27(33)29-23-13-15-31(16-14-23)18-20-5-3-2-4-6-20/h2-12,17,23H,13-16,18-19H2,1H3,(H,29,33)(H,30,34)
InChIKeyDWGXEYQUYFUVSG-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.78
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 3232138) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID3232138
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)ccc32)cc1
InChIInChI=1S/C28H30N4O3/c1-35-24-10-7-21(8-11-24)19-32-26-12-9-22(17-25(26)30-28(32)34)27(33)29-23-13-15-31(16-14-23)18-20-5-3-2-4-6-20/h2-12,17,23H,13-16,18-19H2,1H3,(H,29,33)(H,30,34)
InChIKeyDWGXEYQUYFUVSG-UHFFFAOYSA-N
XLogP3.78
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 3232138) is N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)ccc32)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is DWGXEYQUYFUVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-35-24-10-7-21(8-11-24)19-32-26-12-9-22(17-25(26)30-28(32)34)27(33)29-23-13-15-31(16-14-23)18-20-5-3-2-4-6-20/h2-12,17,23H,13-16,18-19H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 3232138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).