2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol

C24H20N2O — CID 53341424

IUPAC2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(C#Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C24H20N2O/c1-24(2,27)20-11-7-6-10-19(20)18-13-14-21-22(16-18)26-23(25-21)15-12-17-8-4-3-5-9-17/h3-11,13-14,16,27H,1-2H3,(H,25,26)
InChIKeyAEQYKXPJKINHKH-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.86
Rot. Bonds2

About 2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol

2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol (PubChem CID 53341424) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol
PubChem CID53341424
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(C#Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C24H20N2O/c1-24(2,27)20-11-7-6-10-19(20)18-13-14-21-22(16-18)26-23(25-21)15-12-17-8-4-3-5-9-17/h3-11,13-14,16,27H,1-2H3,(H,25,26)
InChIKeyAEQYKXPJKINHKH-UHFFFAOYSA-N
XLogP4.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
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 2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol (CID 53341424) is 2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1-c1ccc2nc(C#Cc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The InChIKey is AEQYKXPJKINHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-24(2,27)20-11-7-6-10-19(20)18-13-14-21-22(16-18)26-23(25-21)15-12-17-8-4-3-5-9-17/h3-11,13-14,16,27H,1-2H3,(H,25,26).
What are the key properties of 2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol has a molecular weight of 352.44 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 53341424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).