2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol

C25H25N3O — CID 70695843

IUPAC2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol
SMILESOc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H25N3O/c29-23-12-11-22-24(27-25(26-22)20-9-5-2-6-10-20)21(23)17-28-15-13-19(14-16-28)18-7-3-1-4-8-18/h1-12,19,29H,13-17H2,(H,26,27)
InChIKeyZHBCHBKBPABMRQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.32
Rot. Bonds4

About 2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol

2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol (PubChem CID 70695843) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol
PubChem CID70695843
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol
SMILESOc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H25N3O/c29-23-12-11-22-24(27-25(26-22)20-9-5-2-6-10-20)21(23)17-28-15-13-19(14-16-28)18-7-3-1-4-8-18/h1-12,19,29H,13-17H2,(H,26,27)
InChIKeyZHBCHBKBPABMRQ-UHFFFAOYSA-N
XLogP5.32
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol?
The IUPAC name of 2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol (CID 70695843) is 2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol.
What is the SMILES notation for 2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol?
The canonical SMILES for 2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol is Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol?
The InChIKey is ZHBCHBKBPABMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c29-23-12-11-22-24(27-25(26-22)20-9-5-2-6-10-20)21(23)17-28-15-13-19(14-16-28)18-7-3-1-4-8-18/h1-12,19,29H,13-17H2,(H,26,27).
What are the key properties of 2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol?
2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol has a molecular weight of 383.50 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]-1H-benzimidazol-5-ol is sourced from PubChem (CID 70695843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).