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

C17H23N3O — CID 43651080

IUPAC2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
SMILESCCCOc1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1
InChIInChI=1S/C17H23N3O/c1-2-11-21-14-8-6-13(7-9-14)16-12-19-17(20-16)15-5-3-4-10-18-15/h6-9,12,15,18H,2-5,10-11H2,1H3,(H,19,20)
InChIKeyKTVMJJCFAGQCEL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.68
Rot. Bonds5

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

2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine (PubChem CID 43651080) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
PubChem CID43651080
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
SMILESCCCOc1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1
InChIInChI=1S/C17H23N3O/c1-2-11-21-14-8-6-13(7-9-14)16-12-19-17(20-16)15-5-3-4-10-18-15/h6-9,12,15,18H,2-5,10-11H2,1H3,(H,19,20)
InChIKeyKTVMJJCFAGQCEL-UHFFFAOYSA-N
XLogP3.68
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
CID 58209611
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
CID 144634079
CID 144634079
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
5-[4-[2-[4-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)phenyl]ethynyl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 123810877
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095
(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine
CID 51884033

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine (CID 43651080) is 2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine is CCCOc1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1.
What is the InChIKey of 2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is KTVMJJCFAGQCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-11-21-14-8-6-13(7-9-14)16-12-19-17(20-16)15-5-3-4-10-18-15/h6-9,12,15,18H,2-5,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine?
2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 285.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 43651080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).