4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine

C17H23N3 — CID 61029255

IUPAC4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine
SMILESCc1ccc(-c2cnc(CC3CCNCC3)[nH]2)c(C)c1
InChIInChI=1S/C17H23N3/c1-12-3-4-15(13(2)9-12)16-11-19-17(20-16)10-14-5-7-18-8-6-14/h3-4,9,11,14,18H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyAIYGXRBOTIYJCO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.24
Rot. Bonds3

About 4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine

4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine (PubChem CID 61029255) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine
PubChem CID61029255
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine
SMILESCc1ccc(-c2cnc(CC3CCNCC3)[nH]2)c(C)c1
InChIInChI=1S/C17H23N3/c1-12-3-4-15(13(2)9-12)16-11-19-17(20-16)10-14-5-7-18-8-6-14/h3-4,9,11,14,18H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyAIYGXRBOTIYJCO-UHFFFAOYSA-N
XLogP3.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179
4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61030336
4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 114998934
3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851712
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651094
5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 60865963
5-(2,5-dimethylphenyl)-2-ethyl-1H-imidazole
CID 163518861
5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 116877631
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882858
3-methyl-6-(piperidin-4-ylmethyl)quinoline
CID 116997415
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine?
The IUPAC name of 4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine (CID 61029255) is 4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine?
The canonical SMILES for 4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine is Cc1ccc(-c2cnc(CC3CCNCC3)[nH]2)c(C)c1.
What is the InChIKey of 4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine?
The InChIKey is AIYGXRBOTIYJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-3-4-15(13(2)9-12)16-11-19-17(20-16)10-14-5-7-18-8-6-14/h3-4,9,11,14,18H,5-8,10H2,1-2H3,(H,19,20).
What are the key properties of 4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine?
4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 61029255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).