1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea

C18H19N3OSe — CID 155559874

IUPAC1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)N/N=C1\CC[Se]c2ccccc21
InChIInChI=1S/C18H19N3OSe/c1-2-13-7-3-5-9-15(13)19-18(22)21-20-16-11-12-23-17-10-6-4-8-14(16)17/h3-10H,2,11-12H2,1H3,(H2,19,21,22)/b20-16+
InChIKeyKEMVWTIYQUPYPK-CAPFRKAQSA-N
MW372.33 g/mol
LogP2.93
Rot. Bonds3

About 1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea

1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea (PubChem CID 155559874) has the molecular formula C18H19N3OSe and a molecular weight of 372.33 g/mol. Its IUPAC name is 1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea
PubChem CID155559874
Molecular FormulaC18H19N3OSe
Molecular Weight372.33 g/mol
Exact Mass373.07
IUPAC Name1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)N/N=C1\CC[Se]c2ccccc21
InChIInChI=1S/C18H19N3OSe/c1-2-13-7-3-5-9-15(13)19-18(22)21-20-16-11-12-23-17-10-6-4-8-14(16)17/h3-10H,2,11-12H2,1H3,(H2,19,21,22)/b20-16+
InChIKeyKEMVWTIYQUPYPK-CAPFRKAQSA-N
XLogP2.93
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.93
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

2(1H)-Quinazolinone, 4-phenyl-
CID 63430
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-(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)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea?
The IUPAC name of 1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea (CID 155559874) is 1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)N/N=C1\CC[Se]c2ccccc21.
What is the InChIKey of 1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea?
The InChIKey is KEMVWTIYQUPYPK-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H19N3OSe/c1-2-13-7-3-5-9-15(13)19-18(22)21-20-16-11-12-23-17-10-6-4-8-14(16)17/h3-10H,2,11-12H2,1H3,(H2,19,21,22)/b20-16+.
What are the key properties of 1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea?
1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea has a molecular weight of 372.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-dihydroselenochromen-4-ylideneamino]-3-(2-ethylphenyl)urea is sourced from PubChem (CID 155559874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).