(5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C22H20N2O4 — CID 7242253

IUPAC(5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCc1cc2oc(=O)cc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2cc1C
InChIInChI=1S/C22H20N2O4/c1-13-9-17-15(11-19(25)28-18(17)10-14(13)2)12-24-20(26)22(3,23-21(24)27)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,23,27)/t22-/m0/s1
InChIKeyYRLJAVRAPDNNQB-QFIPXVFZSA-N
MW376.41 g/mol
LogP3.38
Rot. Bonds3

About (5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 7242253) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID7242253
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCc1cc2oc(=O)cc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2cc1C
InChIInChI=1S/C22H20N2O4/c1-13-9-17-15(11-19(25)28-18(17)10-14(13)2)12-24-20(26)22(3,23-21(24)27)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,23,27)/t22-/m0/s1
InChIKeyYRLJAVRAPDNNQB-QFIPXVFZSA-N
XLogP3.38
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.38
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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Related Compounds

(5R)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242252
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51250107
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288632
(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242212
5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
CID 60617699
5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 4301529
5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 4019911
(5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2113206
5-(4-chlorophenyl)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 5032782
4-[(4R)-1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 93250967
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
3'-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 78539491

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 7242253) is (5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is Cc1cc2oc(=O)cc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2cc1C.
What is the InChIKey of (5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is YRLJAVRAPDNNQB-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-13-9-17-15(11-19(25)28-18(17)10-14(13)2)12-24-20(26)22(3,23-21(24)27)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,23,27)/t22-/m0/s1.
What are the key properties of (5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 376.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 7242253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).