1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea

C19H14N4O2 — CID 958480

IUPAC1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea
SMILESN#Cc1ccccc1-c1ccc(C=NNC(=O)Nc2ccccc2)o1
InChIInChI=1S/C19H14N4O2/c20-12-14-6-4-5-9-17(14)18-11-10-16(25-18)13-21-23-19(24)22-15-7-2-1-3-8-15/h1-11,13H,(H2,22,23,24)
InChIKeyICTKBZFCZNNYMI-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.97
Rot. Bonds4

About 1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea

1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea (PubChem CID 958480) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea
PubChem CID958480
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea
SMILESN#Cc1ccccc1-c1ccc(C=NNC(=O)Nc2ccccc2)o1
InChIInChI=1S/C19H14N4O2/c20-12-14-6-4-5-9-17(14)18-11-10-16(25-18)13-21-23-19(24)22-15-7-2-1-3-8-15/h1-11,13H,(H2,22,23,24)
InChIKeyICTKBZFCZNNYMI-UHFFFAOYSA-N
XLogP3.97
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

methyl 2-[5-[(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 4271764
N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 1280117
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 1379769
4-chloro-3-[5-[(E)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 172958492
methyl 4-chloro-3-[5-[(E)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 6876381
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657677
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395934
2-[5-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]furan-2-yl]benzonitrile
CID 19060025
butyl 4-[5-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 126069847
1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 1101255
2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50883717
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
CID 126020827

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea?
The IUPAC name of 1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea (CID 958480) is 1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea is N#Cc1ccccc1-c1ccc(C=NNC(=O)Nc2ccccc2)o1.
What is the InChIKey of 1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea?
The InChIKey is ICTKBZFCZNNYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c20-12-14-6-4-5-9-17(14)18-11-10-16(25-18)13-21-23-19(24)22-15-7-2-1-3-8-15/h1-11,13H,(H2,22,23,24).
What are the key properties of 1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea?
1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea has a molecular weight of 330.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea is sourced from PubChem (CID 958480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).