1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione

C19H20N2O5 — CID 7738318

IUPAC1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(Cc2cc(=O)oc3cc(C)c(C)cc23)C1=O
InChIInChI=1S/C19H20N2O5/c1-4-5-6-20-17(23)18(24)21(19(20)25)10-13-9-16(22)26-15-8-12(3)11(2)7-14(13)15/h7-9H,4-6,10H2,1-3H3
InChIKeySDAQHAZFQZSVGO-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.50
Rot. Bonds5

About 1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione

1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 7738318) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID7738318
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(Cc2cc(=O)oc3cc(C)c(C)cc23)C1=O
InChIInChI=1S/C19H20N2O5/c1-4-5-6-20-17(23)18(24)21(19(20)25)10-13-9-16(22)26-15-8-12(3)11(2)7-14(13)15/h7-9H,4-6,10H2,1-3H3
InChIKeySDAQHAZFQZSVGO-UHFFFAOYSA-N
XLogP2.50
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide
CID 2570750
4-[(4-acetylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one
CID 2101263
1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 7756897
(5R)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242252
(5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242253
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51250107
2-[4-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
CID 86913191
6,7-dimethyl-4-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]chromen-2-one
CID 50983259
3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione
CID 7181061
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288632
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 18203121
6,7-dimethyl-4-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]chromen-2-one
CID 87022018

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione (CID 7738318) is 1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione is CCCCN1C(=O)C(=O)N(Cc2cc(=O)oc3cc(C)c(C)cc23)C1=O.
What is the InChIKey of 1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is SDAQHAZFQZSVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-4-5-6-20-17(23)18(24)21(19(20)25)10-13-9-16(22)26-15-8-12(3)11(2)7-14(13)15/h7-9H,4-6,10H2,1-3H3.
What are the key properties of 1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione?
1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 356.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7738318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).