2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole

C25H32N2O — CID 5088588

IUPAC2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
SMILESCCCCCCCCCn1c(C=Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C25H32N2O/c1-3-4-5-6-7-8-11-20-27-24-13-10-9-12-23(24)26-25(27)19-16-21-14-17-22(28-2)18-15-21/h9-10,12-19H,3-8,11,20H2,1-2H3
InChIKeyNVCMPIMJHUMUSW-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.97
Rot. Bonds11

About 2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole

2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole (PubChem CID 5088588) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
PubChem CID5088588
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
SMILESCCCCCCCCCn1c(C=Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C25H32N2O/c1-3-4-5-6-7-8-11-20-27-24-13-10-9-12-23(24)26-25(27)19-16-21-14-17-22(28-2)18-15-21/h9-10,12-19H,3-8,11,20H2,1-2H3
InChIKeyNVCMPIMJHUMUSW-UHFFFAOYSA-N
XLogP6.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.97
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

2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
CID 6266974
1-octadecyl-2-(2-phenylethenyl)benzimidazole
CID 4153645
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999687
1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999616
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
1-[4-(4-tert-butylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999729
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999714
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole (CID 5088588) is 2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole is CCCCCCCCCn1c(C=Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole?
The InChIKey is NVCMPIMJHUMUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-3-4-5-6-7-8-11-20-27-24-13-10-9-12-23(24)26-25(27)19-16-21-14-17-22(28-2)18-15-21/h9-10,12-19H,3-8,11,20H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole?
2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole has a molecular weight of 376.54 g/mol, XLogP of 6.97, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole is sourced from PubChem (CID 5088588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).