3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione

C21H26N2O4 — CID 2579752

IUPAC3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(Cc2cc(=O)oc3c(C)c(C)ccc23)C1=O
InChIInChI=1S/C21H26N2O4/c1-5-9-21(10-6-2)19(25)23(20(26)22-21)12-15-11-17(24)27-18-14(4)13(3)7-8-16(15)18/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,22,26)
InChIKeyIBVPUDMMSBLQGW-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.80
Rot. Bonds6

About 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione

3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione (PubChem CID 2579752) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione
PubChem CID2579752
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N(Cc2cc(=O)oc3c(C)c(C)ccc23)C1=O
InChIInChI=1S/C21H26N2O4/c1-5-9-21(10-6-2)19(25)23(20(26)22-21)12-15-11-17(24)27-18-14(4)13(3)7-8-16(15)18/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,22,26)
InChIKeyIBVPUDMMSBLQGW-UHFFFAOYSA-N
XLogP3.80
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione?
The IUPAC name of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione (CID 2579752) is 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione is CCCC1(CCC)NC(=O)N(Cc2cc(=O)oc3c(C)c(C)ccc23)C1=O.
What is the InChIKey of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione?
The InChIKey is IBVPUDMMSBLQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-9-21(10-6-2)19(25)23(20(26)22-21)12-15-11-17(24)27-18-14(4)13(3)7-8-16(15)18/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,22,26).
What are the key properties of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione?
3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-5,5-dipropylimidazolidine-2,4-dione is sourced from PubChem (CID 2579752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).