[(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea

C19H21N3OSe — CID 11825208

IUPAC[(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea
SMILESCC1/C(=N/NC(N)=O)CC(c2ccccc2)[Se]C1c1ccccc1
InChIInChI=1S/C19H21N3OSe/c1-13-16(21-22-19(20)23)12-17(14-8-4-2-5-9-14)24-18(13)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3,(H3,20,22,23)/b21-16+
InChIKeyOADXLSKLNMVSTG-LTGZKZEYSA-N
MW386.36 g/mol
LogP3.24
Rot. Bonds3

About [(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea

[(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea (PubChem CID 11825208) has the molecular formula C19H21N3OSe and a molecular weight of 386.36 g/mol. Its IUPAC name is [(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea
PubChem CID11825208
Molecular FormulaC19H21N3OSe
Molecular Weight386.36 g/mol
Exact Mass387.08
IUPAC Name[(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea
SMILESCC1/C(=N/NC(N)=O)CC(c2ccccc2)[Se]C1c1ccccc1
InChIInChI=1S/C19H21N3OSe/c1-13-16(21-22-19(20)23)12-17(14-8-4-2-5-9-14)24-18(13)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3,(H3,20,22,23)/b21-16+
InChIKeyOADXLSKLNMVSTG-LTGZKZEYSA-N
XLogP3.24
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.24
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

[(E)-[(2S,4aS,8aS)-2-phenyl-2,3,4a,5,6,7,8,8a-octahydroselenochromen-4-ylidene]amino]urea
CID 10337928
[(Z)-[(2S,3S,5S)-5-acetyl-3-benzyl-2-methylcyclohexylidene]amino]urea
CID 93153204
trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate
CID 7350566
[(Z)-[(2R,4aS,8aS)-2-phenyl-2,3,4a,5,6,7,8,8a-octahydroselenochromen-4-ylidene]amino]thiourea
CID 100978173
[(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea
CID 121000811
[(E)-[(2R)-5-oxo-1,2-diphenylpyrrolidin-3-ylidene]amino]urea
CID 98550911
[(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea
CID 7380767
[[(2R,3S,6S)-2-ethyl-3,6-dimethylthian-4-ylidene]amino]urea
CID 7369295
[(2R,3R,4S,6S)-3-methyl-2,6-diphenylselenan-4-yl] acetate
CID 12618580
[[(1R,2S,5S,6S,8R,9R)-11-(carbamoylhydrazinylidene)-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]amino]urea
CID 129421568
[[(1S,2S,4S,5S)-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]amino]urea
CID 99719880
[[(1R,2S,4S,5R)-2,4-diphenyl-3-azoniabicyclo[3.3.1]nonan-9-ylidene]amino]urea
CID 50944144

Frequently Asked Questions

What is the IUPAC name of [(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea?
The IUPAC name of [(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea (CID 11825208) is [(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea.
What is the SMILES notation for [(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea?
The canonical SMILES for [(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea is CC1/C(=N/NC(N)=O)CC(c2ccccc2)[Se]C1c1ccccc1.
What is the InChIKey of [(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea?
The InChIKey is OADXLSKLNMVSTG-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H21N3OSe/c1-13-16(21-22-19(20)23)12-17(14-8-4-2-5-9-14)24-18(13)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3,(H3,20,22,23)/b21-16+.
What are the key properties of [(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea?
[(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea has a molecular weight of 386.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea is sourced from PubChem (CID 11825208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).