1,3-bis[(E)-but-2-enyl]benzimidazol-2-one

C15H18N2O — CID 155329218

IUPAC1,3-bis[(E)-but-2-enyl]benzimidazol-2-one
SMILESC/C=C/Cn1c(=O)n(C/C=C/C)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-3-5-11-16-13-9-7-8-10-14(13)17(15(16)18)12-6-4-2/h3-10H,11-12H2,1-2H3/b5-3+,6-4+
InChIKeyCJXLQYWUXVESSB-GGWOSOGESA-N
MW242.32 g/mol
LogP2.96
Rot. Bonds4

About 1,3-bis[(E)-but-2-enyl]benzimidazol-2-one

1,3-bis[(E)-but-2-enyl]benzimidazol-2-one (PubChem CID 155329218) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,3-bis[(E)-but-2-enyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-bis[(E)-but-2-enyl]benzimidazol-2-one
PubChem CID155329218
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1,3-bis[(E)-but-2-enyl]benzimidazol-2-one
SMILESC/C=C/Cn1c(=O)n(C/C=C/C)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-3-5-11-16-13-9-7-8-10-14(13)17(15(16)18)12-6-4-2/h3-10H,11-12H2,1-2H3/b5-3+,6-4+
InChIKeyCJXLQYWUXVESSB-GGWOSOGESA-N
XLogP2.96
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-but-2-enyl-3,1-benzoxazine-2,4-dione
CID 78925095
2-(3-ethyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710654
1,3-bis(but-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 54557283
1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione
CID 54527016
1-[(Z)-4-chlorobut-2-enyl]-3-methylbenzimidazol-2-one
CID 59075602
1-[(E)-but-2-enyl]-2-sulfanylidenequinazolin-4-one
CID 11470299
1-but-2-enyl-2-methylindole
CID 77019089
1-but-2-enyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 174837120
9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole
CID 89011287
2-ethyl-4-(3-ethyl-2-oxobenzimidazol-1-yl)but-2-enoic acid
CID 77102171
2-[3-[(Z)-4-chlorobut-2-enyl]-2-oxobenzimidazol-1-yl]ethyl N-methylcarbamate
CID 89117789
1,3-bis(but-3-enyl)benzimidazol-2-one
CID 155329278

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-but-2-enyl]benzimidazol-2-one?
The IUPAC name of 1,3-bis[(E)-but-2-enyl]benzimidazol-2-one (CID 155329218) is 1,3-bis[(E)-but-2-enyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-bis[(E)-but-2-enyl]benzimidazol-2-one?
The canonical SMILES for 1,3-bis[(E)-but-2-enyl]benzimidazol-2-one is C/C=C/Cn1c(=O)n(C/C=C/C)c2ccccc21.
What is the InChIKey of 1,3-bis[(E)-but-2-enyl]benzimidazol-2-one?
The InChIKey is CJXLQYWUXVESSB-GGWOSOGESA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-5-11-16-13-9-7-8-10-14(13)17(15(16)18)12-6-4-2/h3-10H,11-12H2,1-2H3/b5-3+,6-4+.
What are the key properties of 1,3-bis[(E)-but-2-enyl]benzimidazol-2-one?
1,3-bis[(E)-but-2-enyl]benzimidazol-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-but-2-enyl]benzimidazol-2-one is sourced from PubChem (CID 155329218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).