1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea

C20H20N4O3 — CID 90554526

IUPAC1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
SMILESCOc1ccc(NC(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C20H20N4O3/c1-27-18-10-6-16(7-11-18)23-19(25)21-12-2-3-15-4-8-17(9-5-15)24-14-13-22-20(24)26/h4-11H,12-14H2,1H3,(H,22,26)(H2,21,23,25)
InChIKeyIWWYLDSNTTYXQF-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.40
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea

1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea (PubChem CID 90554526) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
PubChem CID90554526
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
SMILESCOc1ccc(NC(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C20H20N4O3/c1-27-18-10-6-16(7-11-18)23-19(25)21-12-2-3-15-4-8-17(9-5-15)24-14-13-22-20(24)26/h4-11H,12-14H2,1H3,(H,22,26)(H2,21,23,25)
InChIKeyIWWYLDSNTTYXQF-UHFFFAOYSA-N
XLogP2.40
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea (CID 90554526) is 1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea is COc1ccc(NC(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea?
The InChIKey is IWWYLDSNTTYXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-18-10-6-16(7-11-18)23-19(25)21-12-2-3-15-4-8-17(9-5-15)24-14-13-22-20(24)26/h4-11H,12-14H2,1H3,(H,22,26)(H2,21,23,25).
What are the key properties of 1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea?
1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea has a molecular weight of 364.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea is sourced from PubChem (CID 90554526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).