1-octadecyl-2-(2-phenylethenyl)benzimidazole

C33H48N2 — CID 4153645

IUPAC1-octadecyl-2-(2-phenylethenyl)benzimidazole
SMILESCCCCCCCCCCCCCCCCCCn1c(C=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C33H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-35-32-26-21-20-25-31(32)34-33(35)28-27-30-23-18-17-19-24-30/h17-21,23-28H,2-16,22,29H2,1H3
InChIKeyZQANBMIGQUANKY-UHFFFAOYSA-N
MW472.76 g/mol
LogP10.47
Rot. Bonds19

About 1-octadecyl-2-(2-phenylethenyl)benzimidazole

1-octadecyl-2-(2-phenylethenyl)benzimidazole (PubChem CID 4153645) has the molecular formula C33H48N2 and a molecular weight of 472.76 g/mol. Its IUPAC name is 1-octadecyl-2-(2-phenylethenyl)benzimidazole.

Molecular Properties

Compound Name1-octadecyl-2-(2-phenylethenyl)benzimidazole
PubChem CID4153645
Molecular FormulaC33H48N2
Molecular Weight472.76 g/mol
Exact Mass472.38
IUPAC Name1-octadecyl-2-(2-phenylethenyl)benzimidazole
SMILESCCCCCCCCCCCCCCCCCCn1c(C=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C33H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-35-32-26-21-20-25-31(32)34-33(35)28-27-30-23-18-17-19-24-30/h17-21,23-28H,2-16,22,29H2,1H3
InChIKeyZQANBMIGQUANKY-UHFFFAOYSA-N
XLogP10.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.76
LogP ≤ 510.47
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-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
CID 5088588
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
CID 6266974
2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
CID 16999879
1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999616
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999604
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879216
N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline
CID 78505875
1-(3-naphthalen-2-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879224
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999687
1-(3-naphthalen-1-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879223

Frequently Asked Questions

What is the IUPAC name of 1-octadecyl-2-(2-phenylethenyl)benzimidazole?
The IUPAC name of 1-octadecyl-2-(2-phenylethenyl)benzimidazole (CID 4153645) is 1-octadecyl-2-(2-phenylethenyl)benzimidazole.
What is the SMILES notation for 1-octadecyl-2-(2-phenylethenyl)benzimidazole?
The canonical SMILES for 1-octadecyl-2-(2-phenylethenyl)benzimidazole is CCCCCCCCCCCCCCCCCCn1c(C=Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-octadecyl-2-(2-phenylethenyl)benzimidazole?
The InChIKey is ZQANBMIGQUANKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-35-32-26-21-20-25-31(32)34-33(35)28-27-30-23-18-17-19-24-30/h17-21,23-28H,2-16,22,29H2,1H3.
What are the key properties of 1-octadecyl-2-(2-phenylethenyl)benzimidazole?
1-octadecyl-2-(2-phenylethenyl)benzimidazole has a molecular weight of 472.76 g/mol, XLogP of 10.47, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadecyl-2-(2-phenylethenyl)benzimidazole is sourced from PubChem (CID 4153645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).