[4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C18H22F2N4O2 — CID 120880336

IUPAC[4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCNCC2c2nccn2C)cc(C)c1OC(F)F
InChIInChI=1S/C18H22F2N4O2/c1-11-8-13(9-12(2)15(11)26-18(19)20)17(25)24-7-4-21-10-14(24)16-22-5-6-23(16)3/h5-6,8-9,14,18,21H,4,7,10H2,1-3H3
InChIKeyXNTMCWYXENYACX-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.43
Rot. Bonds4

About [4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

[4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120880336) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120880336
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name[4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCNCC2c2nccn2C)cc(C)c1OC(F)F
InChIInChI=1S/C18H22F2N4O2/c1-11-8-13(9-12(2)15(11)26-18(19)20)17(25)24-7-4-21-10-14(24)16-22-5-6-23(16)3/h5-6,8-9,14,18,21H,4,7,10H2,1-3H3
InChIKeyXNTMCWYXENYACX-UHFFFAOYSA-N
XLogP2.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911748
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877772
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyl-5-nitrophenyl)methanone;hydrochloride
CID 120879001
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878370
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
(3-cyclopentyloxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879590

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120880336) is [4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCNCC2c2nccn2C)cc(C)c1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is XNTMCWYXENYACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-11-8-13(9-12(2)15(11)26-18(19)20)17(25)24-7-4-21-10-14(24)16-22-5-6-23(16)3/h5-6,8-9,14,18,21H,4,7,10H2,1-3H3.
What are the key properties of [4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 364.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3,5-dimethylphenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120880336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).