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

C22H18N2O — CID 14937661

IUPAC3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C22H18N2O/c25-22-23-20-12-6-7-13-21(20)24(22)16-19-11-5-4-10-18(19)15-14-17-8-2-1-3-9-17/h1-15H,16H2,(H,23,25)/b15-14+
InChIKeyJGXCQOYDXOKMSU-CCEZHUSRSA-N
MW326.40 g/mol
LogP4.55
Rot. Bonds4

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

3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one (PubChem CID 14937661) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one
PubChem CID14937661
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C22H18N2O/c25-22-23-20-12-6-7-13-21(20)24(22)16-19-11-5-4-10-18(19)15-14-17-8-2-1-3-9-17/h1-15H,16H2,(H,23,25)/b15-14+
InChIKeyJGXCQOYDXOKMSU-CCEZHUSRSA-N
XLogP4.55
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.55
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-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one (CID 14937661) is 3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1Cc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one?
The InChIKey is JGXCQOYDXOKMSU-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H18N2O/c25-22-23-20-12-6-7-13-21(20)24(22)16-19-11-5-4-10-18(19)15-14-17-8-2-1-3-9-17/h1-15H,16H2,(H,23,25)/b15-14+.
What are the key properties of 3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one?
3-[[2-[(E)-2-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one has a molecular weight of 326.40 g/mol, XLogP of 4.55, 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-phenylethenyl]phenyl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 14937661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).