(5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C23H21ClN2O4 — CID 2113206

IUPAC(5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)c2cc1Cl
InChIInChI=1S/C23H21ClN2O4/c1-14-10-19-17(12-18(14)24)16(11-20(27)30-19)13-26-21(28)23(2,25-22(26)29)9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,25,29)/t23-/m1/s1
InChIKeyIYMQPYKDQKXBFI-HSZRJFAPSA-N
MW424.88 g/mol
LogP4.20
Rot. Bonds5

About (5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

(5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 2113206) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is (5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID2113206
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name(5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)c2cc1Cl
InChIInChI=1S/C23H21ClN2O4/c1-14-10-19-17(12-18(14)24)16(11-20(27)30-19)13-26-21(28)23(2,25-22(26)29)9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,25,29)/t23-/m1/s1
InChIKeyIYMQPYKDQKXBFI-HSZRJFAPSA-N
XLogP4.20
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.20
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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Launch Full Analysis

Related Compounds

3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione
CID 7181061
(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
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
(5R,6R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265180
2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide
CID 17402203
5-benzyl-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 4301529
(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170829
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]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51250107
6-chloro-4-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylchromen-2-one
CID 32721476
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 8507004

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 2113206) is (5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)c2cc1Cl.
What is the InChIKey of (5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is IYMQPYKDQKXBFI-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-14-10-19-17(12-18(14)24)16(11-20(27)30-19)13-26-21(28)23(2,25-22(26)29)9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,25,29)/t23-/m1/s1.
What are the key properties of (5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 424.88 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2113206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).