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

C22H16N2O2 — CID 135406049

IUPAC(Z)-2-(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)/b20-19+
InChIKeyODDOAUZINBJGDP-FMQUCBEESA-N
MW340.38 g/mol
LogP4.87
Rot. Bonds4

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

(Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one (PubChem CID 135406049) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is (Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one
PubChem CID135406049
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name(Z)-2-(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)/b20-19+
InChIKeyODDOAUZINBJGDP-FMQUCBEESA-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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Related Compounds

2-(alpha-Hydroxybenzyl)benzimidazole
CID 5792
Benzamide, N-1H-benzimidazol-2-yl-2-hydroxy-
CID 583995
2-methyl-1H-1,3-benzodiazole-5-carboxylic acid
CID 1132609
2-(1H-1,3-benzodiazol-2-yl)benzoic acid
CID 318130
2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide
CID 135546482
2-(1H-Benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
CID 2386123
3-(1H-Benzimidazol-2-yl)benzoic acid
CID 749289
2-(4-fluorophenyl)-1H-1,3-benzodiazole-6-carboxylic acid
CID 17010630
2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(3-acetylphenyl)-4-hydroxyphenyl]butanedioic acid
CID 135530568
US11028054, Example 52
CID 135313448
US11028054, Example 25
CID 146525397
2-acetyl-3-[(1H-benzimidazol-2-ylmethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 135403746

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one (CID 135406049) is (Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-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 (Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one?
The InChIKey is ODDOAUZINBJGDP-FMQUCBEESA-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)/b20-19+.
What are the key properties of (Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one?
(Z)-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 (Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 135406049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).