1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea

C19H17ClN4O3 — CID 137122963

IUPAC1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea
SMILESCOc1ccc(C=C2C(=O)NC(=NC(=O)Nc3cccc(Cl)c3)N2C)cc1
InChIInChI=1S/C19H17ClN4O3/c1-24-16(10-12-6-8-15(27-2)9-7-12)17(25)22-18(24)23-19(26)21-14-5-3-4-13(20)11-14/h3-11H,1-2H3,(H2,21,22,23,25,26)
InChIKeySLPVZILIPZAVGJ-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.34
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea

1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea (PubChem CID 137122963) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea
PubChem CID137122963
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea
SMILESCOc1ccc(C=C2C(=O)NC(=NC(=O)Nc3cccc(Cl)c3)N2C)cc1
InChIInChI=1S/C19H17ClN4O3/c1-24-16(10-12-6-8-15(27-2)9-7-12)17(25)22-18(24)23-19(26)21-14-5-3-4-13(20)11-14/h3-11H,1-2H3,(H2,21,22,23,25,26)
InChIKeySLPVZILIPZAVGJ-UHFFFAOYSA-N
XLogP3.34
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea (CID 137122963) is 1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea is COc1ccc(C=C2C(=O)NC(=NC(=O)Nc3cccc(Cl)c3)N2C)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea?
The InChIKey is SLPVZILIPZAVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-24-16(10-12-6-8-15(27-2)9-7-12)17(25)22-18(24)23-19(26)21-14-5-3-4-13(20)11-14/h3-11H,1-2H3,(H2,21,22,23,25,26).
What are the key properties of 1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea?
1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea has a molecular weight of 384.82 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea is sourced from PubChem (CID 137122963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).