[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea

C20H21N3O2 — CID 24813682

IUPAC[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea
SMILESCc1cc(C)c(C/C(=N/NC(N)=O)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-12-8-13(2)16(14(3)9-12)11-17(22-23-20(21)24)19-10-15-6-4-5-7-18(15)25-19/h4-10H,11H2,1-3H3,(H3,21,23,24)/b22-17-
InChIKeyOMYFNJUBLMRODT-XLNRJJMWSA-N
MW335.41 g/mol
LogP3.97
Rot. Bonds4

About [(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea

[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea (PubChem CID 24813682) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea
PubChem CID24813682
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea
SMILESCc1cc(C)c(C/C(=N/NC(N)=O)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-12-8-13(2)16(14(3)9-12)11-17(22-23-20(21)24)19-10-15-6-4-5-7-18(15)25-19/h4-10H,11H2,1-3H3,(H3,21,23,24)/b22-17-
InChIKeyOMYFNJUBLMRODT-XLNRJJMWSA-N
XLogP3.97
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea?
The IUPAC name of [(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea (CID 24813682) is [(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea.
What is the SMILES notation for [(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea?
The canonical SMILES for [(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea is Cc1cc(C)c(C/C(=N/NC(N)=O)c2cc3ccccc3o2)c(C)c1.
What is the InChIKey of [(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea?
The InChIKey is OMYFNJUBLMRODT-XLNRJJMWSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-8-13(2)16(14(3)9-12)11-17(22-23-20(21)24)19-10-15-6-4-5-7-18(15)25-19/h4-10H,11H2,1-3H3,(H3,21,23,24)/b22-17-.
What are the key properties of [(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea?
[(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea has a molecular weight of 335.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-(1-benzofuran-2-yl)-2-(2,4,6-trimethylphenyl)ethylidene]amino]urea is sourced from PubChem (CID 24813682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).