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

C13H13N3O2 — CID 168532484

IUPAC[[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea
SMILESCc1ccc(-c2ccccc2C=NNC(N)=O)o1
InChIInChI=1S/C13H13N3O2/c1-9-6-7-12(18-9)11-5-3-2-4-10(11)8-15-16-13(14)17/h2-8H,1H3,(H3,14,16,17)
InChIKeyKOIZPVOTMLRADZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.26
Rot. Bonds3

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

[[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea (PubChem CID 168532484) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is [[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea
PubChem CID168532484
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name[[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea
SMILESCc1ccc(-c2ccccc2C=NNC(N)=O)o1
InChIInChI=1S/C13H13N3O2/c1-9-6-7-12(18-9)11-5-3-2-4-10(11)8-15-16-13(14)17/h2-8H,1H3,(H3,14,16,17)
InChIKeyKOIZPVOTMLRADZ-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 [[2-(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-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]urea
CID 168533746
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
methyl 2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6888698
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122771
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
CID 30105868
[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]urea
CID 126206866
N-[2-(5-methylfuran-2-yl)phenyl]acetamide
CID 646782
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038

Frequently Asked Questions

What is the IUPAC name of [[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea?
The IUPAC name of [[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea (CID 168532484) is [[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea.
What is the SMILES notation for [[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea?
The canonical SMILES for [[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea is Cc1ccc(-c2ccccc2C=NNC(N)=O)o1.
What is the InChIKey of [[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea?
The InChIKey is KOIZPVOTMLRADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-6-7-12(18-9)11-5-3-2-4-10(11)8-15-16-13(14)17/h2-8H,1H3,(H3,14,16,17).
What are the key properties of [[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea?
[[2-(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 [[2-(5-methylfuran-2-yl)phenyl]methylideneamino]urea is sourced from PubChem (CID 168532484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).