2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one

C22H16N2O2 — CID 787055

IUPAC2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one
SMILESO=C(C(=C(O)c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-20(15-9-3-1-4-10-15)19(21(26)16-11-5-2-6-12-16)22-23-17-13-7-8-14-18(17)24-22/h1-14,25H,(H,23,24)
InChIKeyODDOAUZINBJGDP-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.87
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one

2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one (PubChem CID 787055) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one
PubChem CID787055
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one
SMILESO=C(C(=C(O)c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-20(15-9-3-1-4-10-15)19(21(26)16-11-5-2-6-12-16)22-23-17-13-7-8-14-18(17)24-22/h1-14,25H,(H,23,24)
InChIKeyODDOAUZINBJGDP-UHFFFAOYSA-N
XLogP4.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one (CID 787055) is 2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one is O=C(C(=C(O)c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The InChIKey is ODDOAUZINBJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-20(15-9-3-1-4-10-15)19(21(26)16-11-5-2-6-12-16)22-23-17-13-7-8-14-18(17)24-22/h1-14,25H,(H,23,24).
What are the key properties of 2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one?
2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one has a molecular weight of 340.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 787055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).