2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile

C12H12FN3O2 — CID 116980141

IUPAC2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
SMILESCOc1ccc(C2CN(CC#N)C(=O)N2)cc1F
InChIInChI=1S/C12H12FN3O2/c1-18-11-3-2-8(6-9(11)13)10-7-16(5-4-14)12(17)15-10/h2-3,6,10H,5,7H2,1H3,(H,15,17)
InChIKeyUUGCGPIKEMDMMW-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.42
Rot. Bonds3

About 2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile

2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile (PubChem CID 116980141) has the molecular formula C12H12FN3O2 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
PubChem CID116980141
Molecular FormulaC12H12FN3O2
Molecular Weight249.24 g/mol
Exact Mass249.09
IUPAC Name2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
SMILESCOc1ccc(C2CN(CC#N)C(=O)N2)cc1F
InChIInChI=1S/C12H12FN3O2/c1-18-11-3-2-8(6-9(11)13)10-7-16(5-4-14)12(17)15-10/h2-3,6,10H,5,7H2,1H3,(H,15,17)
InChIKeyUUGCGPIKEMDMMW-UHFFFAOYSA-N
XLogP1.42
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile 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

2-[4-(3,4-dimethoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980138
2-[4-(2,5-dimethoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980140
2-[4-(4-ethylsulfanylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116980185
3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980248
5-(3-fluoro-4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693405
3-cyclopropyl-2-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83244666
1-(3-aminopropyl)-4-(5-fluoro-2-methoxyphenyl)imidazolidin-2-one
CID 116978550
1-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile
CID 116837933
2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one
CID 81415947
7-ethyl-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3404384
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
CID 54376016

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile (CID 116980141) is 2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile is COc1ccc(C2CN(CC#N)C(=O)N2)cc1F.
What is the InChIKey of 2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile?
The InChIKey is UUGCGPIKEMDMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-18-11-3-2-8(6-9(11)13)10-7-16(5-4-14)12(17)15-10/h2-3,6,10H,5,7H2,1H3,(H,15,17).
What are the key properties of 2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile?
2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile has a molecular weight of 249.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 116980141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).