1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one

C18H25FN4O3 — CID 136516507

IUPAC1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCCC(CO)N1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1
InChIInChI=1S/C18H25FN4O3/c1-2-13(12-24)21-7-9-22(10-8-21)17(25)15-11-14(3-4-16(15)19)23-6-5-20-18(23)26/h3-4,11,13,24H,2,5-10,12H2,1H3,(H,20,26)
InChIKeyLNPDMGOEGNUSCY-UHFFFAOYSA-N
MW364.42 g/mol
LogP0.88
Rot. Bonds5

About 1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one

1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 136516507) has the molecular formula C18H25FN4O3 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID136516507
Molecular FormulaC18H25FN4O3
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Name1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCCC(CO)N1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1
InChIInChI=1S/C18H25FN4O3/c1-2-13(12-24)21-7-9-22(10-8-21)17(25)15-11-14(3-4-16(15)19)23-6-5-20-18(23)26/h3-4,11,13,24H,2,5-10,12H2,1H3,(H,20,26)
InChIKeyLNPDMGOEGNUSCY-UHFFFAOYSA-N
XLogP0.88
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-4-methyl-1,4-diazepan-5-one
CID 136554095
1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136526977
1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136511592
1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 119418180
1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256811
1-[3-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepane-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one
CID 139009306
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119171429
2-[ethyl-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119206131
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119209151
1-[4-fluoro-3-[4-(2-methylbutan-2-yl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 138005284
2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119433675
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-methylpentanoic acid
CID 119192133

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (CID 136516507) is 1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is CCC(CO)N1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1.
What is the InChIKey of 1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is LNPDMGOEGNUSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O3/c1-2-13(12-24)21-7-9-22(10-8-21)17(25)15-11-14(3-4-16(15)19)23-6-5-20-18(23)26/h3-4,11,13,24H,2,5-10,12H2,1H3,(H,20,26).
What are the key properties of 1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 364.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 136516507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).