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

C16H21N3 — CID 43651094

IUPAC2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
SMILESCc1ccc(-c2cnc(C3CCCCN3)[nH]2)c(C)c1
InChIInChI=1S/C16H21N3/c1-11-6-7-13(12(2)9-11)15-10-18-16(19-15)14-5-3-4-8-17-14/h6-7,9-10,14,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyJLGNETKZIQVDPU-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.51
Rot. Bonds2

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

2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine (PubChem CID 43651094) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
PubChem CID43651094
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
SMILESCc1ccc(-c2cnc(C3CCCCN3)[nH]2)c(C)c1
InChIInChI=1S/C16H21N3/c1-11-6-7-13(12(2)9-11)15-10-18-16(19-15)14-5-3-4-8-17-14/h6-7,9-10,14,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyJLGNETKZIQVDPU-UHFFFAOYSA-N
XLogP3.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 116877522
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095
5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 138691138
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
2-[5-(2,4-dichloro-5-fluorophenyl)-1H-imidazol-2-yl]azepane
CID 64571206
[2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol
CID 91336043
5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255754
CID 144634079
CID 144634079
(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine
CID 51884033
6-methyl-3,9-bis(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-5,7-dihydrobenzo[d][2]benzazepine
CID 66620578

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine (CID 43651094) is 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine is Cc1ccc(-c2cnc(C3CCCCN3)[nH]2)c(C)c1.
What is the InChIKey of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is JLGNETKZIQVDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-6-7-13(12(2)9-11)15-10-18-16(19-15)14-5-3-4-8-17-14/h6-7,9-10,14,17H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine?
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 255.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 43651094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).