2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine

C21H26N4O — CID 69163958

IUPAC2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine
SMILESCOc1ccccc1C1CCN(Cc2nc3c(N)cccc3n2C)CC1
InChIInChI=1S/C21H26N4O/c1-24-18-8-5-7-17(22)21(18)23-20(24)14-25-12-10-15(11-13-25)16-6-3-4-9-19(16)26-2/h3-9,15H,10-14,22H2,1-2H3
InChIKeyHTPODAOIAHOHOB-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.54
Rot. Bonds4

About 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine

2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine (PubChem CID 69163958) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine
PubChem CID69163958
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine
SMILESCOc1ccccc1C1CCN(Cc2nc3c(N)cccc3n2C)CC1
InChIInChI=1S/C21H26N4O/c1-24-18-8-5-7-17(22)21(18)23-20(24)14-25-12-10-15(11-13-25)16-6-3-4-9-19(16)26-2/h3-9,15H,10-14,22H2,1-2H3
InChIKeyHTPODAOIAHOHOB-UHFFFAOYSA-N
XLogP3.54
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
CID 24815438
3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91764234
4-(2-methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 2802698
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25008792
2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 46083181
4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834526
4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 77093189
2-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25009298
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25010195

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine (CID 69163958) is 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine is COc1ccccc1C1CCN(Cc2nc3c(N)cccc3n2C)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine?
The InChIKey is HTPODAOIAHOHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-24-18-8-5-7-17(22)21(18)23-20(24)14-25-12-10-15(11-13-25)16-6-3-4-9-19(16)26-2/h3-9,15H,10-14,22H2,1-2H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine?
2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine has a molecular weight of 350.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine is sourced from PubChem (CID 69163958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).