3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one

C23H20N2O — CID 14937665

IUPAC3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one
SMILESCc1cccc(/C=C/c2ccccc2Cn2c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C23H20N2O/c1-17-7-6-8-18(15-17)13-14-19-9-2-3-10-20(19)16-25-22-12-5-4-11-21(22)24-23(25)26/h2-15H,16H2,1H3,(H,24,26)/b14-13+
InChIKeyGUCSDUKMBYNYOY-BUHFOSPRSA-N
MW340.43 g/mol
LogP4.86
Rot. Bonds4

About 3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one

3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one (PubChem CID 14937665) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one
PubChem CID14937665
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one
SMILESCc1cccc(/C=C/c2ccccc2Cn2c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C23H20N2O/c1-17-7-6-8-18(15-17)13-14-19-9-2-3-10-20(19)16-25-22-12-5-4-11-21(22)24-23(25)26/h2-15H,16H2,1H3,(H,24,26)/b14-13+
InChIKeyGUCSDUKMBYNYOY-BUHFOSPRSA-N
XLogP4.86
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one (CID 14937665) is 3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one is Cc1cccc(/C=C/c2ccccc2Cn2c(=O)[nH]c3ccccc32)c1.
What is the InChIKey of 3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one?
The InChIKey is GUCSDUKMBYNYOY-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H20N2O/c1-17-7-6-8-18(15-17)13-14-19-9-2-3-10-20(19)16-25-22-12-5-4-11-21(22)24-23(25)26/h2-15H,16H2,1H3,(H,24,26)/b14-13+.
What are the key properties of 3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one?
3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one has a molecular weight of 340.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(E)-2-(3-methylphenyl)ethenyl]phenyl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 14937665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).