[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone

C26H25N3O2 — CID 44565808

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C26H25N3O2/c1-31-22-12-10-19(11-13-22)18-6-8-21(9-7-18)26(30)29-16-14-20(15-17-29)25-27-23-4-2-3-5-24(23)28-25/h2-13,20H,14-17H2,1H3,(H,27,28)
InChIKeyPYYOXPURQWCASI-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.26
Rot. Bonds4

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone (PubChem CID 44565808) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone
PubChem CID44565808
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C26H25N3O2/c1-31-22-12-10-19(11-13-22)18-6-8-21(9-7-18)26(30)29-16-14-20(15-17-29)25-27-23-4-2-3-5-24(23)28-25/h2-13,20H,14-17H2,1H3,(H,27,28)
InChIKeyPYYOXPURQWCASI-UHFFFAOYSA-N
XLogP5.26
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone (CID 44565808) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone is COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone?
The InChIKey is PYYOXPURQWCASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-31-22-12-10-19(11-13-22)18-6-8-21(9-7-18)26(30)29-16-14-20(15-17-29)25-27-23-4-2-3-5-24(23)28-25/h2-13,20H,14-17H2,1H3,(H,27,28).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone has a molecular weight of 411.51 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 44565808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).