5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione

C22H22N2O4S — CID 60617699

IUPAC5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCc1cc2oc(=O)cc(CN3C(=O)NC(C)(c4ccsc4)C3=O)c2cc1C(C)C
InChIInChI=1S/C22H22N2O4S/c1-12(2)16-9-17-14(8-19(25)28-18(17)7-13(16)3)10-24-20(26)22(4,23-21(24)27)15-5-6-29-11-15/h5-9,11-12H,10H2,1-4H3,(H,23,27)
InChIKeyNGSNQPIVJJRRCS-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.25
Rot. Bonds4

About 5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione

5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 60617699) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID60617699
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCc1cc2oc(=O)cc(CN3C(=O)NC(C)(c4ccsc4)C3=O)c2cc1C(C)C
InChIInChI=1S/C22H22N2O4S/c1-12(2)16-9-17-14(8-19(25)28-18(17)7-13(16)3)10-24-20(26)22(4,23-21(24)27)15-5-6-29-11-15/h5-9,11-12H,10H2,1-4H3,(H,23,27)
InChIKeyNGSNQPIVJJRRCS-UHFFFAOYSA-N
XLogP4.25
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
(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
5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 4301529
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288632
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione
CID 124573291
5-(4-chlorophenyl)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 5032782
(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242212
3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 27144375
7-methyl-6-propan-2-yl-4-[(thiophen-2-ylmethylamino)methyl]chromen-2-one
CID 9265816
3-fluoro-4-[[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]methyl]benzonitrile
CID 94813765
4-[(4R)-1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 93250967

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione (CID 60617699) is 5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione is Cc1cc2oc(=O)cc(CN3C(=O)NC(C)(c4ccsc4)C3=O)c2cc1C(C)C.
What is the InChIKey of 5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is NGSNQPIVJJRRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-12(2)16-9-17-14(8-19(25)28-18(17)7-13(16)3)10-24-20(26)22(4,23-21(24)27)15-5-6-29-11-15/h5-9,11-12H,10H2,1-4H3,(H,23,27).
What are the key properties of 5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione?
5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 410.50 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 60617699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).