1-pentyl-2-(2-phenylethenyl)benzimidazole

C20H22N2 — CID 3761593

IUPAC1-pentyl-2-(2-phenylethenyl)benzimidazole
SMILESCCCCCn1c(C=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H22N2/c1-2-3-9-16-22-19-13-8-7-12-18(19)21-20(22)15-14-17-10-5-4-6-11-17/h4-8,10-15H,2-3,9,16H2,1H3
InChIKeyZFWZSYTWNOBFET-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.40
Rot. Bonds6

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

1-pentyl-2-(2-phenylethenyl)benzimidazole (PubChem CID 3761593) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-pentyl-2-(2-phenylethenyl)benzimidazole.

Molecular Properties

Compound Name1-pentyl-2-(2-phenylethenyl)benzimidazole
PubChem CID3761593
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name1-pentyl-2-(2-phenylethenyl)benzimidazole
SMILESCCCCCn1c(C=Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H22N2/c1-2-3-9-16-22-19-13-8-7-12-18(19)21-20(22)15-14-17-10-5-4-6-11-17/h4-8,10-15H,2-3,9,16H2,1H3
InChIKeyZFWZSYTWNOBFET-UHFFFAOYSA-N
XLogP5.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.40
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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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-(2-phenylethenyl)benzimidazole?
The IUPAC name of 1-pentyl-2-(2-phenylethenyl)benzimidazole (CID 3761593) is 1-pentyl-2-(2-phenylethenyl)benzimidazole.
What is the SMILES notation for 1-pentyl-2-(2-phenylethenyl)benzimidazole?
The canonical SMILES for 1-pentyl-2-(2-phenylethenyl)benzimidazole is CCCCCn1c(C=Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-pentyl-2-(2-phenylethenyl)benzimidazole?
The InChIKey is ZFWZSYTWNOBFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-2-3-9-16-22-19-13-8-7-12-18(19)21-20(22)15-14-17-10-5-4-6-11-17/h4-8,10-15H,2-3,9,16H2,1H3.
What are the key properties of 1-pentyl-2-(2-phenylethenyl)benzimidazole?
1-pentyl-2-(2-phenylethenyl)benzimidazole has a molecular weight of 290.41 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-(2-phenylethenyl)benzimidazole is sourced from PubChem (CID 3761593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).