2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride

C18H27Cl2N5O — CID 120879777

IUPAC2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCc1cccc(C)c1NCC(=O)N1CCNCC1c1nccn1C.Cl.Cl
InChIInChI=1S/C18H25N5O.2ClH/c1-13-5-4-6-14(2)17(13)21-12-16(24)23-10-7-19-11-15(23)18-20-8-9-22(18)3;;/h4-6,8-9,15,19,21H,7,10-12H2,1-3H3;2*1H
InChIKeyUVZPRWLAXDDHTA-UHFFFAOYSA-N
MW400.35 g/mol
LogP2.47
Rot. Bonds4

About 2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride

2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 120879777) has the molecular formula C18H27Cl2N5O and a molecular weight of 400.35 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID120879777
Molecular FormulaC18H27Cl2N5O
Molecular Weight400.35 g/mol
Exact Mass399.16
IUPAC Name2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCc1cccc(C)c1NCC(=O)N1CCNCC1c1nccn1C.Cl.Cl
InChIInChI=1S/C18H25N5O.2ClH/c1-13-5-4-6-14(2)17(13)21-12-16(24)23-10-7-19-11-15(23)18-20-8-9-22(18)3;;/h4-6,8-9,15,19,21H,7,10-12H2,1-3H3;2*1H
InChIKeyUVZPRWLAXDDHTA-UHFFFAOYSA-N
XLogP2.47
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dimethylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880399
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
CID 120880193
2-(2,5-dimethylphenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879961
N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870414
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 120880644
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione;hydrochloride
CID 120878639
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 120879894
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120878181

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride (CID 120879777) is 2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride is Cc1cccc(C)c1NCC(=O)N1CCNCC1c1nccn1C.Cl.Cl.
What is the InChIKey of 2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is UVZPRWLAXDDHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.2ClH/c1-13-5-4-6-14(2)17(13)21-12-16(24)23-10-7-19-11-15(23)18-20-8-9-22(18)3;;/h4-6,8-9,15,19,21H,7,10-12H2,1-3H3;2*1H.
What are the key properties of 2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride?
2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 120879777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).