sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole

C31H47N2Na — CID 173372966

IUPACsodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole
SMILESCCCCCCCCCCCCCCCCC(Cc1ccccc1)n1cnc2ccccc21.[H-].[Na+]
InChIInChI=1S/C31H46N2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-29(26-28-21-16-15-17-22-28)33-27-32-30-24-19-20-25-31(30)33;;/h15-17,19-22,24-25,27,29H,2-14,18,23,26H2,1H3;;/q;+1;-1
InChIKeyPEGBINJBNBYIEB-UHFFFAOYSA-N
MW470.72 g/mol
LogP6.81
Rot. Bonds18

About sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole

sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole (PubChem CID 173372966) has the molecular formula C31H47N2Na and a molecular weight of 470.72 g/mol. Its IUPAC name is sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole.

Molecular Properties

Compound Namesodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole
PubChem CID173372966
Molecular FormulaC31H47N2Na
Molecular Weight470.72 g/mol
Exact Mass470.36
IUPAC Namesodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole
SMILESCCCCCCCCCCCCCCCCC(Cc1ccccc1)n1cnc2ccccc21.[H-].[Na+]
InChIInChI=1S/C31H46N2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-29(26-28-21-16-15-17-22-28)33-27-32-30-24-19-20-25-31(30)33;;/h15-17,19-22,24-25,27,29H,2-14,18,23,26H2,1H3;;/q;+1;-1
InChIKeyPEGBINJBNBYIEB-UHFFFAOYSA-N
XLogP6.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.72
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-octan-3-ylbenzimidazole
CID 57027329
(3R)-3-(benzimidazol-1-yl)-4-phenylbutanoic acid
CID 58653664
2-(benzimidazol-1-yl)pentan-1-amine
CID 83046427
1-(2-heptadecylicosyl)benzimidazole
CID 59202249
2-(benzimidazol-1-yl)-2-hexoxyacetic acid
CID 175730599
1-(benzimidazol-1-yl)decan-2-ol
CID 105085738
3-undecan-4-ylimidazo[4,5-b]pyridine
CID 138744361
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole
CID 3712903
2-benzyltetradecylbenzene
CID 22920205
1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole
CID 4311819
1-[1-(2-methylphenyl)butan-2-yl]benzimidazole
CID 173454570

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole?
The IUPAC name of sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole (CID 173372966) is sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole.
What is the SMILES notation for sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole?
The canonical SMILES for sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole is CCCCCCCCCCCCCCCCC(Cc1ccccc1)n1cnc2ccccc21.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole?
The InChIKey is PEGBINJBNBYIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-29(26-28-21-16-15-17-22-28)33-27-32-30-24-19-20-25-31(30)33;;/h15-17,19-22,24-25,27,29H,2-14,18,23,26H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole?
sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole has a molecular weight of 470.72 g/mol, XLogP of 6.81, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole is sourced from PubChem (CID 173372966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).