3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione

C13H14ClN3O2 — CID 154063805

IUPAC3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
SMILESNCCCN1C(=O)NC(=Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H14ClN3O2/c14-10-4-2-9(3-5-10)8-11-12(18)17(7-1-6-15)13(19)16-11/h2-5,8H,1,6-7,15H2,(H,16,19)
InChIKeyCOFBIPYGKBNAQL-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.58
Rot. Bonds4

About 3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione

3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 154063805) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID154063805
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
SMILESNCCCN1C(=O)NC(=Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H14ClN3O2/c14-10-4-2-9(3-5-10)8-11-12(18)17(7-1-6-15)13(19)16-11/h2-5,8H,1,6-7,15H2,(H,16,19)
InChIKeyCOFBIPYGKBNAQL-UHFFFAOYSA-N
XLogP1.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
CID 154063796
N-(4-chlorophenyl)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]propanamide
CID 6229399
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
(5E)-3-(3-chloropropyl)-5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 118050435
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126073621
3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
CID 154063808
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126554488
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6383605
(5E)-3-(3-chloropropyl)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 118050374
3-[(4-bromophenyl)methyl]-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione
CID 3656604

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione (CID 154063805) is 3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione is NCCCN1C(=O)NC(=Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is COFBIPYGKBNAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-10-4-2-9(3-5-10)8-11-12(18)17(7-1-6-15)13(19)16-11/h2-5,8H,1,6-7,15H2,(H,16,19).
What are the key properties of 3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 279.73 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 154063805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).