2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole

C24H16N2 — CID 3463728

IUPAC2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole
SMILESC(C#Cc1ccccc1)#CCn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H16N2/c1-4-12-20(13-5-1)14-6-3-11-19-26-23-18-10-9-17-22(23)25-24(26)21-15-7-2-8-16-21/h1-2,4-5,7-10,12-13,15-18H,19H2
InChIKeyXWFUWCQLSPXISP-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.76
Rot. Bonds2

About 2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole

2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole (PubChem CID 3463728) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole
PubChem CID3463728
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole
SMILESC(C#Cc1ccccc1)#CCn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H16N2/c1-4-12-20(13-5-1)14-6-3-11-19-26-23-18-10-9-17-22(23)25-24(26)21-15-7-2-8-16-21/h1-2,4-5,7-10,12-13,15-18H,19H2
InChIKeyXWFUWCQLSPXISP-UHFFFAOYSA-N
XLogP4.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 619876
4-(2-phenylbenzimidazol-1-yl)butanenitrile
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CID 158757236
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
1-[4-[3-(2-thiophen-3-ylbenzimidazol-1-yl)prop-1-ynyl]phenyl]ethanone
CID 132563158
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetonitrile
CID 39151520
2-phenyl-1-(2-pyridin-2-ylethyl)benzimidazole
CID 12758390
1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
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1-hydroxy-2-phenylbenzimidazole
CID 606555
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole?
The IUPAC name of 2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole (CID 3463728) is 2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole.
What is the SMILES notation for 2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole?
The canonical SMILES for 2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole is C(C#Cc1ccccc1)#CCn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole?
The InChIKey is XWFUWCQLSPXISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-4-12-20(13-5-1)14-6-3-11-19-26-23-18-10-9-17-22(23)25-24(26)21-15-7-2-8-16-21/h1-2,4-5,7-10,12-13,15-18H,19H2.
What are the key properties of 2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole?
2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole has a molecular weight of 332.41 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(5-phenylpenta-2,4-diynyl)benzimidazole is sourced from PubChem (CID 3463728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).