1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride

C20H22ClFN4O2 — CID 120736657

IUPAC1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
SMILESCl.O=C1NCCN1c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN4O2.ClH/c21-16-3-1-2-15(12-16)18-13-22-8-10-25(18)19(26)14-4-6-17(7-5-14)24-11-9-23-20(24)27;/h1-7,12,18,22H,8-11,13H2,(H,23,27);1H
InChIKeyNEADOTZLNVTKAL-UHFFFAOYSA-N
MW404.87 g/mol
LogP2.56
Rot. Bonds3

About 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride

1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride (PubChem CID 120736657) has the molecular formula C20H22ClFN4O2 and a molecular weight of 404.87 g/mol. Its IUPAC name is 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
PubChem CID120736657
Molecular FormulaC20H22ClFN4O2
Molecular Weight404.87 g/mol
Exact Mass404.14
IUPAC Name1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
SMILESCl.O=C1NCCN1c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN4O2.ClH/c21-16-3-1-2-15(12-16)18-13-22-8-10-25(18)19(26)14-4-6-17(7-5-14)24-11-9-23-20(24)27;/h1-7,12,18,22H,8-11,13H2,(H,23,27);1H
InChIKeyNEADOTZLNVTKAL-UHFFFAOYSA-N
XLogP2.56
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
1-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 120736848
[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737828
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride (CID 120736657) is 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride is Cl.O=C1NCCN1c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.
What is the InChIKey of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The InChIKey is NEADOTZLNVTKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2.ClH/c21-16-3-1-2-15(12-16)18-13-22-8-10-25(18)19(26)14-4-6-17(7-5-14)24-11-9-23-20(24)27;/h1-7,12,18,22H,8-11,13H2,(H,23,27);1H.
What are the key properties of 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride has a molecular weight of 404.87 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 120736657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).