3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

C19H16ClN3O2 — CID 4684590

IUPAC3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-14-7-5-12(6-8-14)11-23-18(24)17(22-19(23)25)9-13-10-21-16-4-2-1-3-15(13)16/h1-8,10,17,21H,9,11H2,(H,22,25)
InChIKeyOEIRACCCLNMISP-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.48
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 4684590) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID4684590
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-14-7-5-12(6-8-14)11-23-18(24)17(22-19(23)25)9-13-10-21-16-4-2-1-3-15(13)16/h1-8,10,17,21H,9,11H2,(H,22,25)
InChIKeyOEIRACCCLNMISP-UHFFFAOYSA-N
XLogP3.48
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Macimorelin
CID 9804938
Necrostatin-1
CID 2828334
2-Amino-N-benzyl-3-(1H-indol-3-yl)-propionamide
CID 3143286
Brevianamide F
CID 181567
c[L-Phe-D-pro-L-Phe-L-trp]
CID 44583372
Pmx-205
CID 6918845
Pmx-53
CID 6918468
Macimorelin Acetate
CID 71526737
(5R)-5-[(7-Chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 11288934
Cyclo-(L-Trp-L-Trp)
CID 7091706
c[L-Ala-D-pro-L-Phe-D-trp]
CID 44583393
Necrostatin-1s
CID 643953

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (CID 4684590) is 3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is OEIRACCCLNMISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-7-5-12(6-8-14)11-23-18(24)17(22-19(23)25)9-13-10-21-16-4-2-1-3-15(13)16/h1-8,10,17,21H,9,11H2,(H,22,25).
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 353.81 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 4684590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).