2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one

C17H20Cl2N4O2 — CID 120879660

IUPAC2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)N1CCNCC1c1nccn1C
InChIInChI=1S/C17H20Cl2N4O2/c1-11(25-14-5-3-4-12(18)15(14)19)17(24)23-9-6-20-10-13(23)16-21-7-8-22(16)2/h3-5,7-8,11,13,20H,6,9-10H2,1-2H3
InChIKeySRUUAWBTUXECRK-UHFFFAOYSA-N
MW383.28 g/mol
LogP2.67
Rot. Bonds4

About 2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one

2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 120879660) has the molecular formula C17H20Cl2N4O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID120879660
Molecular FormulaC17H20Cl2N4O2
Molecular Weight383.28 g/mol
Exact Mass382.10
IUPAC Name2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)N1CCNCC1c1nccn1C
InChIInChI=1S/C17H20Cl2N4O2/c1-11(25-14-5-3-4-12(18)15(14)19)17(24)23-9-6-20-10-13(23)16-21-7-8-22(16)2/h3-5,7-8,11,13,20H,6,9-10H2,1-2H3
InChIKeySRUUAWBTUXECRK-UHFFFAOYSA-N
XLogP2.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878163
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 120879580
[2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877549
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878687
3-(2-chlorophenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878635
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one;hydrochloride
CID 120877675
2-methyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 120880079
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879116
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;hydrochloride
CID 120878511
3-(2-chloro-4-fluorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120880856
2-(3-chlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879486

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one (CID 120879660) is 2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one is CC(Oc1cccc(Cl)c1Cl)C(=O)N1CCNCC1c1nccn1C.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is SRUUAWBTUXECRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2/c1-11(25-14-5-3-4-12(18)15(14)19)17(24)23-9-6-20-10-13(23)16-21-7-8-22(16)2/h3-5,7-8,11,13,20H,6,9-10H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one?
2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 383.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 120879660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).