Selenourea, N,N'-bis(4-methylphenyl)-

C15H15N2Se — CID 6329260

IUPAC—
SMILESCc1ccc(/N=C(\[Se])Nc2ccc(C)cc2)cc1
InChIInChI=1S/C15H15N2Se/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,16,17)
InChIKeyLONZZXNZUYYNLU-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.57
Rot. Bonds2

About Selenourea, N,N'-bis(4-methylphenyl)-

Selenourea, N,N'-bis(4-methylphenyl)- (PubChem CID 6329260) has the molecular formula C15H15N2Se and a molecular weight of 302.26 g/mol.

Molecular Properties

Compound NameSelenourea, N,N'-bis(4-methylphenyl)-
PubChem CID6329260
Molecular FormulaC15H15N2Se
Molecular Weight302.26 g/mol
Exact Mass303.04
IUPAC Name—
SMILESCc1ccc(/N=C(\[Se])Nc2ccc(C)cc2)cc1
InChIInChI=1S/C15H15N2Se/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,16,17)
InChIKeyLONZZXNZUYYNLU-UHFFFAOYSA-N
XLogP3.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide
CID 4105169
[N'-(4-methylphenyl)carbamimidoyl] N-(4-methylphenyl)carbamodithioate
CID 87476674
[N'-(4-methylphenyl)carbamimidoyl] N-(4-methylphenyl)carbamate
CID 68500642
2-(4-methylphenyl)-1-[4-[5-[4-[[N'-(4-methylphenyl)carbamimidoyl]amino]phenyl]thiophen-2-yl]phenyl]guanidine;dihydrochloride
CID 16655491
2-acetyl-3-hydroxy-N,N'-bis(4-methylphenyl)but-2-enimidamide
CID 150785821
N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide
CID 3345579
2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide
CID 71198711
methyl N-(4-cyanophenyl)-N'-(4-methylphenyl)carbamimidothioate
CID 19855134
N-(4-methylphenyl)acetamide
CID 7684
1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide
CID 15001480
1-(4-methylphenyl)-2-(4-nitrophenyl)-3-phenylguanidine
CID 136768349
azane;2-(4-methylphenyl)guanidine
CID 172751004

Frequently Asked Questions

What is the IUPAC name of Selenourea, N,N'-bis(4-methylphenyl)-?
The IUPAC name of Selenourea, N,N'-bis(4-methylphenyl)- (CID 6329260) is not available.
What is the SMILES notation for Selenourea, N,N'-bis(4-methylphenyl)-?
The canonical SMILES for Selenourea, N,N'-bis(4-methylphenyl)- is Cc1ccc(/N=C(\[Se])Nc2ccc(C)cc2)cc1.
What is the InChIKey of Selenourea, N,N'-bis(4-methylphenyl)-?
The InChIKey is LONZZXNZUYYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2Se/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,16,17).
What are the key properties of Selenourea, N,N'-bis(4-methylphenyl)-?
Selenourea, N,N'-bis(4-methylphenyl)- has a molecular weight of 302.26 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Selenourea, N,N'-bis(4-methylphenyl)- is sourced from PubChem (CID 6329260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).