3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

C14H16Cl2N2O2 — CID 12790743

IUPAC3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(Cc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-2-3-6-18-13(19)12(17-14(18)20)8-9-4-5-10(15)11(16)7-9/h4-5,7,12H,2-3,6,8H2,1H3,(H,17,20)
InChIKeyKAJKJPGWPXCWMU-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.26
Rot. Bonds5

About 3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 12790743) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID12790743
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESCCCCN1C(=O)NC(Cc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-2-3-6-18-13(19)12(17-14(18)20)8-9-4-5-10(15)11(16)7-9/h4-5,7,12H,2-3,6,8H2,1H3,(H,17,20)
InChIKeyKAJKJPGWPXCWMU-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

rel-3,4-Dichloro-N-methyl-N-((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 3036289
3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 5619
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
CID 6604724
2,4-Imidazolidinedione, 5-(p-chlorophenyl)-
CID 97124
1-[(3S)-4-[2-(3,4-dichlorophenyl)acetyl]-3-[(1S)-1-pyrrolidin-1-ylethyl]piperazin-1-yl]propan-1-one
CID 10342393
(-)-U-50488 Hydrochloride
CID 9931141
(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrrolidin-2-yl)-piperidin-1-yl]-ethanone(HCl)
CID 14810996
2-(3,4-dichlorophenyl)-1-[(2S)-2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone
CID 44307887
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2083685
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2102967
(2S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 2117006
(2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide
CID 7905842

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (CID 12790743) is 3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is CCCCN1C(=O)NC(Cc2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is KAJKJPGWPXCWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-2-3-6-18-13(19)12(17-14(18)20)8-9-4-5-10(15)11(16)7-9/h4-5,7,12H,2-3,6,8H2,1H3,(H,17,20).
What are the key properties of 3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 315.20 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 12790743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).