phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate

C19H14ClN3O4 — CID 90448474

IUPACphenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate
SMILESO=C1NC(Cc2c[nH]c3c(Cl)cccc23)C(=O)N1C(=O)Oc1ccccc1
InChIInChI=1S/C19H14ClN3O4/c20-14-8-4-7-13-11(10-21-16(13)14)9-15-17(24)23(18(25)22-15)19(26)27-12-5-2-1-3-6-12/h1-8,10,15,21H,9H2,(H,22,25)
InChIKeyDBKBAYWYXNRARA-UHFFFAOYSA-N
MW383.79 g/mol
LogP3.48
Rot. Bonds3

About phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate

phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate (PubChem CID 90448474) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate
PubChem CID90448474
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC Namephenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate
SMILESO=C1NC(Cc2c[nH]c3c(Cl)cccc23)C(=O)N1C(=O)Oc1ccccc1
InChIInChI=1S/C19H14ClN3O4/c20-14-8-4-7-13-11(10-21-16(13)14)9-15-17(24)23(18(25)22-15)19(26)27-12-5-2-1-3-6-12/h1-8,10,15,21H,9H2,(H,22,25)
InChIKeyDBKBAYWYXNRARA-UHFFFAOYSA-N
XLogP3.48
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate?
The IUPAC name of phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate (CID 90448474) is phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate.
What is the SMILES notation for phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate?
The canonical SMILES for phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate is O=C1NC(Cc2c[nH]c3c(Cl)cccc23)C(=O)N1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate?
The InChIKey is DBKBAYWYXNRARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c20-14-8-4-7-13-11(10-21-16(13)14)9-15-17(24)23(18(25)22-15)19(26)27-12-5-2-1-3-6-12/h1-8,10,15,21H,9H2,(H,22,25).
What are the key properties of phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate?
phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate has a molecular weight of 383.79 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate is sourced from PubChem (CID 90448474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).