2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol

C21H25N3O — CID 10472142

IUPAC2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
SMILESCc1ccc(CC2CCN(Cc3nc4ccc(O)cc4[nH]3)CC2)cc1
InChIInChI=1S/C21H25N3O/c1-15-2-4-16(5-3-15)12-17-8-10-24(11-9-17)14-21-22-19-7-6-18(25)13-20(19)23-21/h2-7,13,17,25H,8-12,14H2,1H3,(H,22,23)
InChIKeyZWNYMQUDJJSSIS-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.03
Rot. Bonds4

About 2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol

2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol (PubChem CID 10472142) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
PubChem CID10472142
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
SMILESCc1ccc(CC2CCN(Cc3nc4ccc(O)cc4[nH]3)CC2)cc1
InChIInChI=1S/C21H25N3O/c1-15-2-4-16(5-3-15)12-17-8-10-24(11-9-17)14-21-22-19-7-6-18(25)13-20(19)23-21/h2-7,13,17,25H,8-12,14H2,1H3,(H,22,23)
InChIKeyZWNYMQUDJJSSIS-UHFFFAOYSA-N
XLogP4.03
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol 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-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol?
The IUPAC name of 2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol (CID 10472142) is 2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol is Cc1ccc(CC2CCN(Cc3nc4ccc(O)cc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol?
The InChIKey is ZWNYMQUDJJSSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-2-4-16(5-3-15)12-17-8-10-24(11-9-17)14-21-22-19-7-6-18(25)13-20(19)23-21/h2-7,13,17,25H,8-12,14H2,1H3,(H,22,23).
What are the key properties of 2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol?
2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol has a molecular weight of 335.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol is sourced from PubChem (CID 10472142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).