(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C16H18F2N4O — CID 120877772

IUPAC(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCNCC2c2nccn2C)c(F)cc1F
InChIInChI=1S/C16H18F2N4O/c1-10-7-11(13(18)8-12(10)17)16(23)22-6-3-19-9-14(22)15-20-4-5-21(15)2/h4-5,7-8,14,19H,3,6,9H2,1-2H3
InChIKeySFSGNYNJXHOECP-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.79
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120877772) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120877772
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCNCC2c2nccn2C)c(F)cc1F
InChIInChI=1S/C16H18F2N4O/c1-10-7-11(13(18)8-12(10)17)16(23)22-6-3-19-9-14(22)15-20-4-5-21(15)2/h4-5,7-8,14,19H,3,6,9H2,1-2H3
InChIKeySFSGNYNJXHOECP-UHFFFAOYSA-N
XLogP1.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
(2-fluoro-4,5-dimethoxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879795
(2-chloro-4,5-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878629
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone
CID 120877926
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878813
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone;hydrochloride
CID 120880659
(2,5-dichlorothiophen-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878803
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880336

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120877772) is (2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCNCC2c2nccn2C)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is SFSGNYNJXHOECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-10-7-11(13(18)8-12(10)17)16(23)22-6-3-19-9-14(22)15-20-4-5-21(15)2/h4-5,7-8,14,19H,3,6,9H2,1-2H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 320.34 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120877772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).