1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea

C19H21N3OSe — CID 155532534

IUPAC1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
SMILESCc1ccc(C)c(NC(=O)N/N=C2\CC[Se]c3ccc(C)cc32)c1
InChIInChI=1S/C19H21N3OSe/c1-12-5-7-18-15(10-12)16(8-9-24-18)21-22-19(23)20-17-11-13(2)4-6-14(17)3/h4-7,10-11H,8-9H2,1-3H3,(H2,20,22,23)/b21-16+
InChIKeyNOTYVHRRSJRNDN-LTGZKZEYSA-N
MW386.36 g/mol
LogP3.29
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea

1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea (PubChem CID 155532534) has the molecular formula C19H21N3OSe and a molecular weight of 386.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
PubChem CID155532534
Molecular FormulaC19H21N3OSe
Molecular Weight386.36 g/mol
Exact Mass387.08
IUPAC Name1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
SMILESCc1ccc(C)c(NC(=O)N/N=C2\CC[Se]c3ccc(C)cc32)c1
InChIInChI=1S/C19H21N3OSe/c1-12-5-7-18-15(10-12)16(8-9-24-18)21-22-19(23)20-17-11-13(2)4-6-14(17)3/h4-7,10-11H,8-9H2,1-3H3,(H2,20,22,23)/b21-16+
InChIKeyNOTYVHRRSJRNDN-LTGZKZEYSA-N
XLogP3.29
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.29
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'}

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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-methylphenyl)methylideneamino]urea
CID 11687781
1-(2,6-dimethylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 77105066
1-(2,6-dimethylphenyl)-3-[(E)-(4-ethylphenyl)methylideneamino]urea
CID 77108055
1-(4-Methylphenyl)ethanone N-phenylsemicarbazone
CID 5757040
3-[(E)-[1-(naphthalen-2-yl)ethylidene]amino]-1-phenylurea
CID 9590697
1-(2,6-dimethylphenyl)-3-[(E)-1-phenylethylideneamino]urea
CID 11543725

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea (CID 155532534) is 1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea is Cc1ccc(C)c(NC(=O)N/N=C2\CC[Se]c3ccc(C)cc32)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
The InChIKey is NOTYVHRRSJRNDN-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H21N3OSe/c1-12-5-7-18-15(10-12)16(8-9-24-18)21-22-19(23)20-17-11-13(2)4-6-14(17)3/h4-7,10-11H,8-9H2,1-3H3,(H2,20,22,23)/b21-16+.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea?
1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea has a molecular weight of 386.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea is sourced from PubChem (CID 155532534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).