[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone

C21H23FN4O — CID 53037868

IUPAC[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H23FN4O/c1-16-2-4-17(5-3-16)20(27)26-11-10-23-21(26)25-14-12-24(13-15-25)19-8-6-18(22)7-9-19/h2-9H,10-15H2,1H3
InChIKeyOEUJBSQLSXYBGS-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.77
Rot. Bonds2

About [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone

[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone (PubChem CID 53037868) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
PubChem CID53037868
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H23FN4O/c1-16-2-4-17(5-3-16)20(27)26-11-10-23-21(26)25-14-12-24(13-15-25)19-8-6-18(22)7-9-19/h2-9H,10-15H2,1H3
InChIKeyOEUJBSQLSXYBGS-UHFFFAOYSA-N
XLogP2.77
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
(4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
CID 53200218
(4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
CID 53037886
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 1262123
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198059
(3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
CID 53200197

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone (CID 53037868) is [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone?
The InChIKey is OEUJBSQLSXYBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-16-2-4-17(5-3-16)20(27)26-11-10-23-21(26)25-14-12-24(13-15-25)19-8-6-18(22)7-9-19/h2-9H,10-15H2,1H3.
What are the key properties of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone?
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone has a molecular weight of 366.44 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 53037868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).