[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea

C13H13N3O2 — CID 168533746

IUPAC[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea
SMILESCc1ccc(-c2ccc(C=NNC(N)=O)cc2)o1
InChIInChI=1S/C13H13N3O2/c1-9-2-7-12(18-9)11-5-3-10(4-6-11)8-15-16-13(14)17/h2-8H,1H3,(H3,14,16,17)
InChIKeyLNPYXTUPVODKFL-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.26
Rot. Bonds3

About [[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea

[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea (PubChem CID 168533746) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is [[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea
PubChem CID168533746
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea
SMILESCc1ccc(-c2ccc(C=NNC(N)=O)cc2)o1
InChIInChI=1S/C13H13N3O2/c1-9-2-7-12(18-9)11-5-3-10(4-6-11)8-15-16-13(14)17/h2-8H,1H3,(H3,14,16,17)
InChIKeyLNPYXTUPVODKFL-UHFFFAOYSA-N
XLogP2.26
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.26
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'}

Analyze [[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea
CID 168532484
ethyl 4-[5-[(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 840770
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
[(E)-benzylideneamino]urea
CID 6861419
[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium
CID 6864967
[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
CID 168532335
[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 900227
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
(E)-3-[4-(5-methylfuran-2-yl)phenyl]prop-2-enoic acid
CID 170872382
2-N-[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628070
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062

Frequently Asked Questions

What is the IUPAC name of [[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea?
The IUPAC name of [[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea (CID 168533746) is [[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea.
What is the SMILES notation for [[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea?
The canonical SMILES for [[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea is Cc1ccc(-c2ccc(C=NNC(N)=O)cc2)o1.
What is the InChIKey of [[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea?
The InChIKey is LNPYXTUPVODKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-2-7-12(18-9)11-5-3-10(4-6-11)8-15-16-13(14)17/h2-8H,1H3,(H3,14,16,17).
What are the key properties of [[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea?
[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea has a molecular weight of 243.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea is sourced from PubChem (CID 168533746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).