2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole

C20H23N3O — CID 10268039

IUPAC2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole
SMILESCOc1ccccc1C1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H23N3O/c1-24-19-9-5-2-6-16(19)15-10-12-23(13-11-15)14-20-21-17-7-3-4-8-18(17)22-20/h2-9,15H,10-14H2,1H3,(H,21,22)
InChIKeyQKKFQHBDHBMWGM-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.95
Rot. Bonds4

About 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole

2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole (PubChem CID 10268039) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole
PubChem CID10268039
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole
SMILESCOc1ccccc1C1CCN(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H23N3O/c1-24-19-9-5-2-6-16(19)15-10-12-23(13-11-15)14-20-21-17-7-3-4-8-18(17)22-20/h2-9,15H,10-14H2,1H3,(H,21,22)
InChIKeyQKKFQHBDHBMWGM-UHFFFAOYSA-N
XLogP3.95
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole 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 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole (CID 10268039) is 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole is COc1ccccc1C1CCN(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is QKKFQHBDHBMWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-24-19-9-5-2-6-16(19)15-10-12-23(13-11-15)14-20-21-17-7-3-4-8-18(17)22-20/h2-9,15H,10-14H2,1H3,(H,21,22).
What are the key properties of 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole?
2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 321.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 10268039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).