1-ethynyl-2-(2-phenylethynyl)benzimidazole

C17H10N2 — CID 101224119

IUPAC1-ethynyl-2-(2-phenylethynyl)benzimidazole
SMILESC#Cn1c(C#Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H10N2/c1-2-19-16-11-7-6-10-15(16)18-17(19)13-12-14-8-4-3-5-9-14/h1,3-11H
InChIKeyDFROCLHALGKBPJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.87
Rot. Bonds

About 1-ethynyl-2-(2-phenylethynyl)benzimidazole

1-ethynyl-2-(2-phenylethynyl)benzimidazole (PubChem CID 101224119) has the molecular formula C17H10N2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-ethynyl-2-(2-phenylethynyl)benzimidazole.

Molecular Properties

Compound Name1-ethynyl-2-(2-phenylethynyl)benzimidazole
PubChem CID101224119
Molecular FormulaC17H10N2
Molecular Weight242.28 g/mol
Exact Mass242.08
IUPAC Name1-ethynyl-2-(2-phenylethynyl)benzimidazole
SMILESC#Cn1c(C#Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H10N2/c1-2-19-16-11-7-6-10-15(16)18-17(19)13-12-14-8-4-3-5-9-14/h1,3-11H
InChIKeyDFROCLHALGKBPJ-UHFFFAOYSA-N
XLogP2.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-(2-phenylethynyl)benzimidazole?
The IUPAC name of 1-ethynyl-2-(2-phenylethynyl)benzimidazole (CID 101224119) is 1-ethynyl-2-(2-phenylethynyl)benzimidazole.
What is the SMILES notation for 1-ethynyl-2-(2-phenylethynyl)benzimidazole?
The canonical SMILES for 1-ethynyl-2-(2-phenylethynyl)benzimidazole is C#Cn1c(C#Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-ethynyl-2-(2-phenylethynyl)benzimidazole?
The InChIKey is DFROCLHALGKBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2/c1-2-19-16-11-7-6-10-15(16)18-17(19)13-12-14-8-4-3-5-9-14/h1,3-11H.
What are the key properties of 1-ethynyl-2-(2-phenylethynyl)benzimidazole?
1-ethynyl-2-(2-phenylethynyl)benzimidazole has a molecular weight of 242.28 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-(2-phenylethynyl)benzimidazole is sourced from PubChem (CID 101224119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).