3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione

C18H19N3O2 — CID 154063808

IUPAC3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
SMILESNCCCCN1C(=O)NC(=Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C18H19N3O2/c19-10-3-4-11-21-17(22)16(20-18(21)23)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,12H,3-4,10-11,19H2,(H,20,23)
InChIKeyHTEHWRSRRIPSAI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.47
Rot. Bonds5

About 3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione

3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 154063808) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
PubChem CID154063808
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
SMILESNCCCCN1C(=O)NC(=Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C18H19N3O2/c19-10-3-4-11-21-17(22)16(20-18(21)23)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,12H,3-4,10-11,19H2,(H,20,23)
InChIKeyHTEHWRSRRIPSAI-UHFFFAOYSA-N
XLogP2.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione
CID 156556130
3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
CID 154063805
5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione
CID 54398318
2-[(4E)-4-[(1-methoxynaphthalen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 177487292
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 5041108
(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126233258
N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
CID 175579171
(5Z)-3-(4-methylphenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 6434616
(5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2248707
(5E)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126140503

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione (CID 154063808) is 3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione is NCCCCN1C(=O)NC(=Cc2cccc3ccccc23)C1=O.
What is the InChIKey of 3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is HTEHWRSRRIPSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-10-3-4-11-21-17(22)16(20-18(21)23)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,12H,3-4,10-11,19H2,(H,20,23).
What are the key properties of 3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione?
3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-5-(naphthalen-1-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 154063808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).