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

C27H28N4O — CID 44525188

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(-c2nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3[nH]2)cc1
InChIInChI=1S/C27H28N4O/c1-19-7-9-21(10-8-19)26-29-24-12-11-22(17-25(24)30-26)27(32)28-23-13-15-31(16-14-23)18-20-5-3-2-4-6-20/h2-12,17,23H,13-16,18H2,1H3,(H,28,32)(H,29,30)
InChIKeyNDUDGJUJCLWGBQ-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.93
Rot. Bonds5

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

N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 44525188) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID44525188
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(-c2nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3[nH]2)cc1
InChIInChI=1S/C27H28N4O/c1-19-7-9-21(10-8-19)26-29-24-12-11-22(17-25(24)30-26)27(32)28-23-13-15-31(16-14-23)18-20-5-3-2-4-6-20/h2-12,17,23H,13-16,18H2,1H3,(H,28,32)(H,29,30)
InChIKeyNDUDGJUJCLWGBQ-UHFFFAOYSA-N
XLogP4.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide (CID 44525188) is N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide is Cc1ccc(-c2nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3[nH]2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is NDUDGJUJCLWGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-19-7-9-21(10-8-19)26-29-24-12-11-22(17-25(24)30-26)27(32)28-23-13-15-31(16-14-23)18-20-5-3-2-4-6-20/h2-12,17,23H,13-16,18H2,1H3,(H,28,32)(H,29,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 44525188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).