1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone

C16H19ClN4O2 — CID 42111100

IUPAC1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-23-12-15(22)19-7-9-20(10-8-19)16-18-5-6-21(16)14-4-2-3-13(17)11-14/h2-6,11H,7-10,12H2,1H3
InChIKeyWDGDYOUARKHMMO-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.82
Rot. Bonds4

About 1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone

1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 42111100) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone
PubChem CID42111100
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-23-12-15(22)19-7-9-20(10-8-19)16-18-5-6-21(16)14-4-2-3-13(17)11-14/h2-6,11H,7-10,12H2,1H3
InChIKeyWDGDYOUARKHMMO-UHFFFAOYSA-N
XLogP1.82
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 42111123
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 42111101
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride
CID 45284327
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 45284394
2-ethoxy-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone
CID 25284986
2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 45284150
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
CID 45284358
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one
CID 25284968
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 42111059
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 2197758

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone (CID 42111100) is 1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is WDGDYOUARKHMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-23-12-15(22)19-7-9-20(10-8-19)16-18-5-6-21(16)14-4-2-3-13(17)11-14/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 334.81 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 42111100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).