3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine

C18H24ClN3O2 — CID 146038437

IUPAC3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine
SMILESCCN1CCCC(n2ccnc2-c2ccc(OC)c(OC)c2Cl)C1
InChIInChI=1S/C18H24ClN3O2/c1-4-21-10-5-6-13(12-21)22-11-9-20-18(22)14-7-8-15(23-2)17(24-3)16(14)19/h7-9,11,13H,4-6,10,12H2,1-3H3
InChIKeyAXMUXSAYTGPOAC-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.88
Rot. Bonds5

About 3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine

3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine (PubChem CID 146038437) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine.

Molecular Properties

Compound Name3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine
PubChem CID146038437
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine
SMILESCCN1CCCC(n2ccnc2-c2ccc(OC)c(OC)c2Cl)C1
InChIInChI=1S/C18H24ClN3O2/c1-4-21-10-5-6-13(12-21)22-11-9-20-18(22)14-7-8-15(23-2)17(24-3)16(14)19/h7-9,11,13H,4-6,10,12H2,1-3H3
InChIKeyAXMUXSAYTGPOAC-UHFFFAOYSA-N
XLogP3.88
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-1-propylpiperidine
CID 154568884
6-chloro-2-[1-(1-ethylpiperidin-3-yl)imidazol-2-yl]quinoline
CID 146039646
4-[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154567633
1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
CID 146043336
7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole
CID 155502063
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
CID 154820358
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801
5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine
CID 63632385
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
3-[2-(3-methoxyphenyl)imidazol-1-yl]-1-methylpiperidine
CID 154817064
3-(2-chloro-3,4-dimethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537527

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine?
The IUPAC name of 3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine (CID 146038437) is 3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine.
What is the SMILES notation for 3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine?
The canonical SMILES for 3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine is CCN1CCCC(n2ccnc2-c2ccc(OC)c(OC)c2Cl)C1.
What is the InChIKey of 3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine?
The InChIKey is AXMUXSAYTGPOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-4-21-10-5-6-13(12-21)22-11-9-20-18(22)14-7-8-15(23-2)17(24-3)16(14)19/h7-9,11,13H,4-6,10,12H2,1-3H3.
What are the key properties of 3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine?
3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine has a molecular weight of 349.86 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine is sourced from PubChem (CID 146038437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).