3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride

C12H15Cl2N3O2 — CID 44604673

IUPAC3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride
SMILESCN(C)CC1NC(=O)N(c2ccc(Cl)cc2)C1=O.Cl
InChIInChI=1S/C12H14ClN3O2.ClH/c1-15(2)7-10-11(17)16(12(18)14-10)9-5-3-8(13)4-6-9;/h3-6,10H,7H2,1-2H3,(H,14,18);1H
InChIKeyBRYRVQZEGLUUHP-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.75
Rot. Bonds3

About 3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride

3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 44604673) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID44604673
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride
SMILESCN(C)CC1NC(=O)N(c2ccc(Cl)cc2)C1=O.Cl
InChIInChI=1S/C12H14ClN3O2.ClH/c1-15(2)7-10-11(17)16(12(18)14-10)9-5-3-8(13)4-6-9;/h3-6,10H,7H2,1-2H3,(H,14,18);1H
InChIKeyBRYRVQZEGLUUHP-UHFFFAOYSA-N
XLogP1.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate
CID 4062868
(5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 93037488
(5R)-3-(4-chlorophenyl)-5-(1H-imidazol-5-ylmethyl)imidazolidine-2,4-dione
CID 15120611
N-(2-amino-2-methylpropyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119630707
2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
CID 119350473
N-(2-amino-2-ethylbutyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide;hydrochloride
CID 119643950
(5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 7734535
1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461560
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119429245
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650855
(2S)-2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-4-methylpentanoic acid
CID 119362153
3-(4-fluorophenyl)-5-(methoxymethyl)imidazolidine-2,4-dione
CID 81082365

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride (CID 44604673) is 3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride is CN(C)CC1NC(=O)N(c2ccc(Cl)cc2)C1=O.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is BRYRVQZEGLUUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2.ClH/c1-15(2)7-10-11(17)16(12(18)14-10)9-5-3-8(13)4-6-9;/h3-6,10H,7H2,1-2H3,(H,14,18);1H.
What are the key properties of 3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride?
3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 304.18 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(dimethylamino)methyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 44604673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).