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

C27H27FN4O2 — CID 3232131

IUPACN-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)cc1
InChIInChI=1S/C27H27FN4O2/c28-22-9-6-20(7-10-22)18-32-25-11-8-21(16-24(25)30-27(32)34)26(33)29-23-12-14-31(15-13-23)17-19-4-2-1-3-5-19/h1-11,16,23H,12-15,17-18H2,(H,29,33)(H,30,34)
InChIKeyAYRFKQUXGIWEFY-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.91
Rot. Bonds6

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

N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 3232131) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID3232131
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)cc1
InChIInChI=1S/C27H27FN4O2/c28-22-9-6-20(7-10-22)18-32-25-11-8-21(16-24(25)30-27(32)34)26(33)29-23-12-14-31(15-13-23)17-19-4-2-1-3-5-19/h1-11,16,23H,12-15,17-18H2,(H,29,33)(H,30,34)
InChIKeyAYRFKQUXGIWEFY-UHFFFAOYSA-N
XLogP3.91
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 3232131) is N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is AYRFKQUXGIWEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c28-22-9-6-20(7-10-22)18-32-25-11-8-21(16-24(25)30-27(32)34)26(33)29-23-12-14-31(15-13-23)17-19-4-2-1-3-5-19/h1-11,16,23H,12-15,17-18H2,(H,29,33)(H,30,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 3.91, 6 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)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 3232131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).