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

C18H21FN6O2 — CID 136511592

IUPAC1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCn1cc(N2CCN(C(=O)c3cc(N4CCNC4=O)ccc3F)CC2)cn1
InChIInChI=1S/C18H21FN6O2/c1-22-12-14(11-21-22)23-6-8-24(9-7-23)17(26)15-10-13(2-3-16(15)19)25-5-4-20-18(25)27/h2-3,10-12H,4-9H2,1H3,(H,20,27)
InChIKeyMKBRENXVLHIBNR-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.05
Rot. Bonds3

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

1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 136511592) has the molecular formula C18H21FN6O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID136511592
Molecular FormulaC18H21FN6O2
Molecular Weight372.40 g/mol
Exact Mass372.17
IUPAC Name1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCn1cc(N2CCN(C(=O)c3cc(N4CCNC4=O)ccc3F)CC2)cn1
InChIInChI=1S/C18H21FN6O2/c1-22-12-14(11-21-22)23-6-8-24(9-7-23)17(26)15-10-13(2-3-16(15)19)25-5-4-20-18(25)27/h2-3,10-12H,4-9H2,1H3,(H,20,27)
InChIKeyMKBRENXVLHIBNR-UHFFFAOYSA-N
XLogP1.05
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-4-methyl-1,4-diazepan-5-one
CID 136554095
1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 119418180
1-[4-fluoro-3-[4-(1-hydroxybutan-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136516507
1-[4-fluoro-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 136526977
1-[3-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepane-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one
CID 139009306
1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256811
methyl (3S)-1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-phenylpyrrolidine-3-carboxylate
CID 124882733
1-[4-fluoro-3-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 136527734
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119209151
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119171429
(3R)-2-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125152045
1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 119634190

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (CID 136511592) is 1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is Cn1cc(N2CCN(C(=O)c3cc(N4CCNC4=O)ccc3F)CC2)cn1.
What is the InChIKey of 1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is MKBRENXVLHIBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O2/c1-22-12-14(11-21-22)23-6-8-24(9-7-23)17(26)15-10-13(2-3-16(15)19)25-5-4-20-18(25)27/h2-3,10-12H,4-9H2,1H3,(H,20,27).
What are the key properties of 1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 372.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[4-(1-methylpyrazol-4-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 136511592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).