N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide

C29H32N4O2 — CID 10790461

IUPACN-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide
SMILESO=C(NCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32N4O2/c34-28(27(22-10-3-1-4-11-22)23-12-5-2-6-13-23)30-18-9-19-32-20-16-24(17-21-32)33-26-15-8-7-14-25(26)31-29(33)35/h1-8,10-15,24,27H,9,16-21H2,(H,30,34)(H,31,35)
InChIKeyJFEYYMRBXRWTRQ-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.30
Rot. Bonds8

About N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide

N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide (PubChem CID 10790461) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide
PubChem CID10790461
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide
SMILESO=C(NCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32N4O2/c34-28(27(22-10-3-1-4-11-22)23-12-5-2-6-13-23)30-18-9-19-32-20-16-24(17-21-32)33-26-15-8-7-14-25(26)31-29(33)35/h1-8,10-15,24,27H,9,16-21H2,(H,30,34)(H,31,35)
InChIKeyJFEYYMRBXRWTRQ-UHFFFAOYSA-N
XLogP4.30
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide (CID 10790461) is N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide is O=C(NCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide?
The InChIKey is JFEYYMRBXRWTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c34-28(27(22-10-3-1-4-11-22)23-12-5-2-6-13-23)30-18-9-19-32-20-16-24(17-21-32)33-26-15-8-7-14-25(26)31-29(33)35/h1-8,10-15,24,27H,9,16-21H2,(H,30,34)(H,31,35).
What are the key properties of N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide?
N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide has a molecular weight of 468.60 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-2,2-diphenylacetamide is sourced from PubChem (CID 10790461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).