CID 19881371

C22H21N2Se — CID 19881371

IUPAC—
SMILESCN(C)c1ccc(/N=C(\[Se])c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C22H21N2Se/c1-24(2)20-14-12-19(13-15-20)23-22(25)21-11-7-6-10-18(21)16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3/b23-22-
InChIKeyFOZDWGCHXCNLHF-FCQUAONHSA-N
MW392.38 g/mol
LogP4.59
Rot. Bonds5

About CID 19881371

CID 19881371 (PubChem CID 19881371) has the molecular formula C22H21N2Se and a molecular weight of 392.38 g/mol.

Molecular Properties

Compound NameCID 19881371
PubChem CID19881371
Molecular FormulaC22H21N2Se
Molecular Weight392.38 g/mol
Exact Mass393.09
IUPAC Name—
SMILESCN(C)c1ccc(/N=C(\[Se])c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C22H21N2Se/c1-24(2)20-14-12-19(13-15-20)23-22(25)21-11-7-6-10-18(21)16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3/b23-22-
InChIKeyFOZDWGCHXCNLHF-FCQUAONHSA-N
XLogP4.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 19881367
CID 19881367
CID 22845526
CID 22845526
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CID 7567
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CID 134101124
3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-[4-(dimethylamino)phenyl]carbamimidothioate
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2-[(4-benzylphenyl)methyl]benzoic acid
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CID 21317460

Frequently Asked Questions

What is the IUPAC name of CID 19881371?
The IUPAC name of CID 19881371 (CID 19881371) is not available.
What is the SMILES notation for CID 19881371?
The canonical SMILES for CID 19881371 is CN(C)c1ccc(/N=C(\[Se])c2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of CID 19881371?
The InChIKey is FOZDWGCHXCNLHF-FCQUAONHSA-N. The full InChI is InChI=1S/C22H21N2Se/c1-24(2)20-14-12-19(13-15-20)23-22(25)21-11-7-6-10-18(21)16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3/b23-22-.
What are the key properties of CID 19881371?
CID 19881371 has a molecular weight of 392.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19881371 is sourced from PubChem (CID 19881371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).