(2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride

C16H22Cl2N4O — CID 120571831

IUPAC(2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride
SMILESCC1NCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1C.Cl.Cl
InChIInChI=1S/C16H20N4O.2ClH/c1-12-13(2)20(10-8-18-12)16(21)14-3-5-15(6-4-14)19-9-7-17-11-19;;/h3-7,9,11-13,18H,8,10H2,1-2H3;2*1H
InChIKeyYOQYCFWHUNBOTE-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.54
Rot. Bonds2

About (2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride

(2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride (PubChem CID 120571831) has the molecular formula C16H22Cl2N4O and a molecular weight of 357.29 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride
PubChem CID120571831
Molecular FormulaC16H22Cl2N4O
Molecular Weight357.29 g/mol
Exact Mass356.12
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride
SMILESCC1NCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1C.Cl.Cl
InChIInChI=1S/C16H20N4O.2ClH/c1-12-13(2)20(10-8-18-12)16(21)14-3-5-15(6-4-14)19-9-7-17-11-19;;/h3-7,9,11-13,18H,8,10H2,1-2H3;2*1H
InChIKeyYOQYCFWHUNBOTE-UHFFFAOYSA-N
XLogP2.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
[4-(benzimidazol-1-yl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570334
(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 120571312
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 120570067
(2,3-dimethylpiperazin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;hydrochloride
CID 120570699
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120573035

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride (CID 120571831) is (2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride is CC1NCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1C.Cl.Cl.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride?
The InChIKey is YOQYCFWHUNBOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.2ClH/c1-12-13(2)20(10-8-18-12)16(21)14-3-5-15(6-4-14)19-9-7-17-11-19;;/h3-7,9,11-13,18H,8,10H2,1-2H3;2*1H.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride?
(2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride has a molecular weight of 357.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride is sourced from PubChem (CID 120571831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).