4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride

C22H27Cl2N3O — CID 67691150

IUPAC4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride
SMILESCOc1ccc(-c2ncc(CC3(c4ccccc4)CCNCC3)[nH]2)cc1.Cl.Cl
InChIInChI=1S/C22H25N3O.2ClH/c1-26-20-9-7-17(8-10-20)21-24-16-19(25-21)15-22(11-13-23-14-12-22)18-5-3-2-4-6-18;;/h2-10,16,23H,11-15H2,1H3,(H,24,25);2*1H
InChIKeyQNQDNIMYOGAQTA-UHFFFAOYSA-N
MW420.38 g/mol
LogP4.79
Rot. Bonds5

About 4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride

4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride (PubChem CID 67691150) has the molecular formula C22H27Cl2N3O and a molecular weight of 420.38 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride
PubChem CID67691150
Molecular FormulaC22H27Cl2N3O
Molecular Weight420.38 g/mol
Exact Mass419.15
IUPAC Name4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride
SMILESCOc1ccc(-c2ncc(CC3(c4ccccc4)CCNCC3)[nH]2)cc1.Cl.Cl
InChIInChI=1S/C22H25N3O.2ClH/c1-26-20-9-7-17(8-10-20)21-24-16-19(25-21)15-22(11-13-23-14-12-22)18-5-3-2-4-6-18;;/h2-10,16,23H,11-15H2,1H3,(H,24,25);2*1H
InChIKeyQNQDNIMYOGAQTA-UHFFFAOYSA-N
XLogP4.79
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride 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-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride?
The IUPAC name of 4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride (CID 67691150) is 4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride.
What is the SMILES notation for 4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride?
The canonical SMILES for 4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride is COc1ccc(-c2ncc(CC3(c4ccccc4)CCNCC3)[nH]2)cc1.Cl.Cl.
What is the InChIKey of 4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride?
The InChIKey is QNQDNIMYOGAQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O.2ClH/c1-26-20-9-7-17(8-10-20)21-24-16-19(25-21)15-22(11-13-23-14-12-22)18-5-3-2-4-6-18;;/h2-10,16,23H,11-15H2,1H3,(H,24,25);2*1H.
What are the key properties of 4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride?
4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine;dihydrochloride is sourced from PubChem (CID 67691150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).