1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea

C21H22N4O — CID 5467984

IUPAC1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea
SMILESO=C(N/N=C1/CCc2ccccc2C1)N/N=C1/CCc2ccccc2C1
InChIInChI=1S/C21H22N4O/c26-21(24-22-19-11-9-15-5-1-3-7-17(15)13-19)25-23-20-12-10-16-6-2-4-8-18(16)14-20/h1-8H,9-14H2,(H2,24,25,26)/b22-19-,23-20-
InChIKeyPQJQIEQYWXYVAC-IKJQKJQYSA-N
MW346.43 g/mol
LogP3.38
Rot. Bonds2

About 1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea

1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea (PubChem CID 5467984) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea
PubChem CID5467984
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea
SMILESO=C(N/N=C1/CCc2ccccc2C1)N/N=C1/CCc2ccccc2C1
InChIInChI=1S/C21H22N4O/c26-21(24-22-19-11-9-15-5-1-3-7-17(15)13-19)25-23-20-12-10-16-6-2-4-8-18(16)14-20/h1-8H,9-14H2,(H2,24,25,26)/b22-19-,23-20-
InChIKeyPQJQIEQYWXYVAC-IKJQKJQYSA-N
XLogP3.38
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.38
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 1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]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

N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-thiophen-2-ylacetamide
CID 9410892
N'-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9410894
N-(3,4-dihydro-1H-naphthalen-2-ylideneamino)formamide
CID 57272878
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(2-fluorophenyl)sulfanylacetamide
CID 9410856
N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9410613
N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide
CID 9016757
1-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(4-fluorophenyl)thiourea
CID 9410649
4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide
CID 9410831
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9410888
N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide
CID 4923007
1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea
CID 9410666

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea?
The IUPAC name of 1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea (CID 5467984) is 1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea.
What is the SMILES notation for 1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea?
The canonical SMILES for 1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea is O=C(N/N=C1/CCc2ccccc2C1)N/N=C1/CCc2ccccc2C1.
What is the InChIKey of 1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea?
The InChIKey is PQJQIEQYWXYVAC-IKJQKJQYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(24-22-19-11-9-15-5-1-3-7-17(15)13-19)25-23-20-12-10-16-6-2-4-8-18(16)14-20/h1-8H,9-14H2,(H2,24,25,26)/b22-19-,23-20-.
What are the key properties of 1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea?
1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea has a molecular weight of 346.43 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea is sourced from PubChem (CID 5467984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).