[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone

C21H23FN4O2 — CID 53200182

IUPAC[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN4O2/c1-28-19-4-2-3-16(15-19)20(27)26-10-9-23-21(26)25-13-11-24(12-14-25)18-7-5-17(22)6-8-18/h2-8,15H,9-14H2,1H3
InChIKeySNMWOFMNOLRBCC-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.47
Rot. Bonds3

About [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone

[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 53200182) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone
PubChem CID53200182
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H23FN4O2/c1-28-19-4-2-3-16(15-19)20(27)26-10-9-23-21(26)25-13-11-24(12-14-25)18-7-5-17(22)6-8-18/h2-8,15H,9-14H2,1H3
InChIKeySNMWOFMNOLRBCC-UHFFFAOYSA-N
XLogP2.47
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone with MolForge

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Related Compounds

Aminopotentidine
CID 164435
8-Fluoro-3-(4-(4-fluorophenoxy)phenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4(3H)-one
CID 137628676
3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951
N-benzoyl-4-(4-methoxyphenyl)-1-piperazinecarboxamide
CID 701195
1-(3-Methoxybenzoyl)-1,2,3,4-tetrahydroquinoline
CID 755245
N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)-3-methoxybenzamide
CID 16051495
(S)-3,5-difluoro-N-((4-methoxyphenylamino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)benzamide
CID 44577598
(S)-N-((m-toluidino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)-3-methoxybenzamide
CID 44577643
(S)-3-fluoro-N-((4-methoxyphenylamino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)benzamide
CID 44578029
(S)-4-fluoro-N-((4-methoxyphenylamino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)benzamide
CID 44578030
(S)-3,4-difluoro-N-((4-methoxyphenylamino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)benzamide
CID 44578031
(3,5-Dimethoxy-phenyl)-[4-(2-fluoro-phenyl)-piperazin-1-yl]-methanone
CID 650236

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone (CID 53200182) is [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is SNMWOFMNOLRBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-28-19-4-2-3-16(15-19)20(27)26-10-9-23-21(26)25-13-11-24(12-14-25)18-7-5-17(22)6-8-18/h2-8,15H,9-14H2,1H3.
What are the key properties of [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone?
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 382.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 53200182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).