1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea

C17H17N3OSe — CID 155558441

IUPAC1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea
SMILESCc1ccc2c(c1)/C(=N/NC(=O)Nc1ccccc1)CC[Se]2
InChIInChI=1S/C17H17N3OSe/c1-12-7-8-16-14(11-12)15(9-10-22-16)19-20-17(21)18-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,18,20,21)/b19-15+
InChIKeyLQXMSGQCHYMZHL-XDJHFCHBSA-N
MW358.30 g/mol
LogP2.67
Rot. Bonds2

About 1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea

1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea (PubChem CID 155558441) has the molecular formula C17H17N3OSe and a molecular weight of 358.30 g/mol. Its IUPAC name is 1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea
PubChem CID155558441
Molecular FormulaC17H17N3OSe
Molecular Weight358.30 g/mol
Exact Mass359.05
IUPAC Name1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea
SMILESCc1ccc2c(c1)/C(=N/NC(=O)Nc1ccccc1)CC[Se]2
InChIInChI=1S/C17H17N3OSe/c1-12-7-8-16-14(11-12)15(9-10-22-16)19-20-17(21)18-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,18,20,21)/b19-15+
InChIKeyLQXMSGQCHYMZHL-XDJHFCHBSA-N
XLogP2.67
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea 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

1-phenyl-3-[(E)-1-phenylhexylideneamino]urea
CID 6373500
1-(Cyclohexylideneamino)-3-(2,6-dimethylphenyl)urea
CID 578299
1-Phenylethanone N-phenylsemicarbazone
CID 9584792
1-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-phenylurea
CID 5407232
2-methyl-1-phenyl-1-propanone N-phenylsemicarbazone
CID 5411019
1-phenyl-1-propanone N-phenylsemicarbazone
CID 6944388
1-(2,6-dimethylphenyl)-3-[(E)-(4-ethylphenyl)methylideneamino]urea
CID 77108055
1-(4-Methylphenyl)ethanone N-phenylsemicarbazone
CID 5757040
3-methyl-1-cyclohexanone N-phenylsemicarbazone
CID 5337517
3-[(E)-[1-(naphthalen-2-yl)ethylidene]amino]-1-phenylurea
CID 9590697
benzaldehyde N-(2,6-dimethylphenyl)semicarbazone
CID 5934221
1-(2,6-dimethylphenyl)-3-[(E)-(3-methylphenyl)methylideneamino]urea
CID 77108054

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea?
The IUPAC name of 1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea (CID 155558441) is 1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea?
The canonical SMILES for 1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea is Cc1ccc2c(c1)/C(=N/NC(=O)Nc1ccccc1)CC[Se]2.
What is the InChIKey of 1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea?
The InChIKey is LQXMSGQCHYMZHL-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H17N3OSe/c1-12-7-8-16-14(11-12)15(9-10-22-16)19-20-17(21)18-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,18,20,21)/b19-15+.
What are the key properties of 1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea?
1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea has a molecular weight of 358.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]-3-phenylurea is sourced from PubChem (CID 155558441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).