6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole

C24H30N2 — CID 67635508

IUPAC6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole
SMILESCCCCCCCCCc1ccc2nc(C=Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C24H30N2/c1-2-3-4-5-6-7-9-14-21-15-17-22-23(19-21)26-24(25-22)18-16-20-12-10-8-11-13-20/h8,10-13,15-19H,2-7,9,14H2,1H3,(H,25,26)
InChIKeyUELFDIISEWYLIN-UHFFFAOYSA-N
MW346.52 g/mol
LogP7.03
Rot. Bonds10

About 6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole

6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole (PubChem CID 67635508) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole
PubChem CID67635508
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole
SMILESCCCCCCCCCc1ccc2nc(C=Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C24H30N2/c1-2-3-4-5-6-7-9-14-21-15-17-22-23(19-21)26-24(25-22)18-16-20-12-10-8-11-13-20/h8,10-13,15-19H,2-7,9,14H2,1H3,(H,25,26)
InChIKeyUELFDIISEWYLIN-UHFFFAOYSA-N
XLogP7.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-nonyl-2,6-bis(2-phenylethenyl)phenol
CID 54556617
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole
CID 92970296
5-(2-phenylethenyl)-2-tetradecylbenzene-1,3-diol
CID 66842936
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
2-dodecyl-9H-carbazole
CID 21248548
N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline
CID 130356199
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
6-pentyl-1H-benzimidazole
CID 58767911
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472
4-hexyl-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 76558986
6-ethyl-2-(5-heptyl-2-pyridinyl)-1H-benzimidazole
CID 142677705

Frequently Asked Questions

What is the IUPAC name of 6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole?
The IUPAC name of 6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole (CID 67635508) is 6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole.
What is the SMILES notation for 6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole?
The canonical SMILES for 6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole is CCCCCCCCCc1ccc2nc(C=Cc3ccccc3)[nH]c2c1.
What is the InChIKey of 6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole?
The InChIKey is UELFDIISEWYLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2/c1-2-3-4-5-6-7-9-14-21-15-17-22-23(19-21)26-24(25-22)18-16-20-12-10-8-11-13-20/h8,10-13,15-19H,2-7,9,14H2,1H3,(H,25,26).
What are the key properties of 6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole?
6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole has a molecular weight of 346.52 g/mol, XLogP of 7.03, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole is sourced from PubChem (CID 67635508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).