5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole

C26H26N2 — CID 151682330

IUPAC5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole
SMILESCCc1ccc(/C=C\c2ccc3c(c2)ncn3-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C26H26N2/c1-4-20-5-7-21(8-6-20)9-10-22-11-16-26-25(17-22)27-18-28(26)24-14-12-23(13-15-24)19(2)3/h5-19H,4H2,1-3H3/b10-9-
InChIKeyRAUKSGJYQNGCHQ-KTKRTIGZSA-N
MW366.51 g/mol
LogP6.88
Rot. Bonds5

About 5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole

5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole (PubChem CID 151682330) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole
PubChem CID151682330
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole
SMILESCCc1ccc(/C=C\c2ccc3c(c2)ncn3-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C26H26N2/c1-4-20-5-7-21(8-6-20)9-10-22-11-16-26-25(17-22)27-18-28(26)24-14-12-23(13-15-24)19(2)3/h5-19H,4H2,1-3H3/b10-9-
InChIKeyRAUKSGJYQNGCHQ-KTKRTIGZSA-N
XLogP6.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole?
The IUPAC name of 5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole (CID 151682330) is 5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole.
What is the SMILES notation for 5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole?
The canonical SMILES for 5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole is CCc1ccc(/C=C\c2ccc3c(c2)ncn3-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole?
The InChIKey is RAUKSGJYQNGCHQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C26H26N2/c1-4-20-5-7-21(8-6-20)9-10-22-11-16-26-25(17-22)27-18-28(26)24-14-12-23(13-15-24)19(2)3/h5-19H,4H2,1-3H3/b10-9-.
What are the key properties of 5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole?
5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole has a molecular weight of 366.51 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole is sourced from PubChem (CID 151682330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).