sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride

C28H31N2NaO — CID 173291482

IUPACsodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride
SMILESCCCCCCCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O.[H-].[Na+]
InChIInChI=1S/C28H30N2O.Na.H/c1-2-3-4-5-15-22-29-26(23-16-9-6-10-17-23)27(24-18-11-7-12-19-24)30(28(29)31)25-20-13-8-14-21-25;;/h6-14,16-21H,2-5,15,22H2,1H3;;/q;+1;-1
InChIKeyLAKICERCGXULSO-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.06
Rot. Bonds9

About sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride

sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride (PubChem CID 173291482) has the molecular formula C28H31N2NaO and a molecular weight of 434.56 g/mol. Its IUPAC name is sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride.

Molecular Properties

Compound Namesodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride
PubChem CID173291482
Molecular FormulaC28H31N2NaO
Molecular Weight434.56 g/mol
Exact Mass434.23
IUPAC Namesodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride
SMILESCCCCCCCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O.[H-].[Na+]
InChIInChI=1S/C28H30N2O.Na.H/c1-2-3-4-5-15-22-29-26(23-16-9-6-10-17-23)27(24-18-11-7-12-19-24)30(28(29)31)25-20-13-8-14-21-25;;/h6-14,16-21H,2-5,15,22H2,1H3;;/q;+1;-1
InChIKeyLAKICERCGXULSO-UHFFFAOYSA-N
XLogP4.06
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dihydroxy(oxo)phosphanium;1-heptyl-3,4,5-triphenylimidazol-2-one
CID 70278239
5-(2-oxo-3,4,5-triphenylimidazol-1-yl)pentanoic acid
CID 10070267
6-heptyl-3-methyl-1,2-diphenylpyridin-4-one
CID 14621388
2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid
CID 10066284
5,6-dibenzyl-1,3-dihexylpyrimidine-2,4-dione
CID 142656477
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
5-hexyl-6-hydroxy-1,4-diphenylpyrrolo[3,4-c]pyrrol-3-one
CID 137158258
1-decyl-3-methylbenzimidazol-2-one
CID 116621203
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
1,1'-biphenyl;hexadecane
CID 173308514
1-octyl-4-phenyltetrazol-5-one
CID 15508327
2-(9-hexylcarbazol-3-yl)-3,4,5-triphenylcyclopenta-2,4-dien-1-one
CID 134884813

Frequently Asked Questions

What is the IUPAC name of sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride?
The IUPAC name of sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride (CID 173291482) is sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride.
What is the SMILES notation for sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride?
The canonical SMILES for sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride is CCCCCCCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O.[H-].[Na+].
What is the InChIKey of sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride?
The InChIKey is LAKICERCGXULSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O.Na.H/c1-2-3-4-5-15-22-29-26(23-16-9-6-10-17-23)27(24-18-11-7-12-19-24)30(28(29)31)25-20-13-8-14-21-25;;/h6-14,16-21H,2-5,15,22H2,1H3;;/q;+1;-1.
What are the key properties of sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride?
sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride has a molecular weight of 434.56 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-heptyl-3,4,5-triphenylimidazol-2-one;hydride is sourced from PubChem (CID 173291482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).