2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one

C21H18N2O2 — CID 135727187

IUPAC2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one
SMILESO=C1CC(/C=C/c2ccccc2)CC(O)=C1c1nc2ccccc2[nH]1
InChIInChI=1S/C21H18N2O2/c24-18-12-15(11-10-14-6-2-1-3-7-14)13-19(25)20(18)21-22-16-8-4-5-9-17(16)23-21/h1-11,15,24H,12-13H2,(H,22,23)/b11-10+
InChIKeyVYAOSPLWFAMTDV-ZHACJKMWSA-N
MW330.39 g/mol
LogP4.52
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one

2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one (PubChem CID 135727187) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one
PubChem CID135727187
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one
SMILESO=C1CC(/C=C/c2ccccc2)CC(O)=C1c1nc2ccccc2[nH]1
InChIInChI=1S/C21H18N2O2/c24-18-12-15(11-10-14-6-2-1-3-7-14)13-19(25)20(18)21-22-16-8-4-5-9-17(16)23-21/h1-11,15,24H,12-13H2,(H,22,23)/b11-10+
InChIKeyVYAOSPLWFAMTDV-ZHACJKMWSA-N
XLogP4.52
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-3-hydroxy-2H-furan-5-one
CID 136917673
2-(1H-benzimidazol-2-yl)-5-(2,4-dimethoxyphenyl)-3-hydroxycyclohex-2-en-1-one
CID 135574548
4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine
CID 11726830
3-(1H-benzimidazol-2-yl)-4-hydroxy-5,5-dimethylfuran-2-one
CID 135440568
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole
CID 135470365
1-(1,3-benzothiazol-2-yl)-3-methyl-6-[(E)-2-phenylethenyl]-6,7-dihydro-5H-indazol-4-one
CID 16584404
2-phenyl-1H-benzimidazole;zinc
CID 174639851
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
CID 2554781
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one (CID 135727187) is 2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one is O=C1CC(/C=C/c2ccccc2)CC(O)=C1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one?
The InChIKey is VYAOSPLWFAMTDV-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-18-12-15(11-10-14-6-2-1-3-7-14)13-19(25)20(18)21-22-16-8-4-5-9-17(16)23-21/h1-11,15,24H,12-13H2,(H,22,23)/b11-10+.
What are the key properties of 2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one?
2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one has a molecular weight of 330.39 g/mol, XLogP of 4.52, 3 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-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one is sourced from PubChem (CID 135727187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).