1,3-bis(hex-5-enyl)benzimidazol-2-one

C19H26N2O — CID 155329274

IUPAC1,3-bis(hex-5-enyl)benzimidazol-2-one
SMILESC=CCCCCn1c(=O)n(CCCCC=C)c2ccccc21
InChIInChI=1S/C19H26N2O/c1-3-5-7-11-15-20-17-13-9-10-14-18(17)21(19(20)22)16-12-8-6-4-2/h3-4,9-10,13-14H,1-2,5-8,11-12,15-16H2
InChIKeyBZWSMGPOQKBNGR-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.52
Rot. Bonds10

About 1,3-bis(hex-5-enyl)benzimidazol-2-one

1,3-bis(hex-5-enyl)benzimidazol-2-one (PubChem CID 155329274) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1,3-bis(hex-5-enyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-bis(hex-5-enyl)benzimidazol-2-one
PubChem CID155329274
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1,3-bis(hex-5-enyl)benzimidazol-2-one
SMILESC=CCCCCn1c(=O)n(CCCCC=C)c2ccccc21
InChIInChI=1S/C19H26N2O/c1-3-5-7-11-15-20-17-13-9-10-14-18(17)21(19(20)22)16-12-8-6-4-2/h3-4,9-10,13-14H,1-2,5-8,11-12,15-16H2
InChIKeyBZWSMGPOQKBNGR-UHFFFAOYSA-N
XLogP4.52
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(oct-7-enyl)benzimidazol-2-one
CID 155329209
1,3-bis(but-3-enyl)benzimidazol-2-one
CID 155329278
1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione
CID 153323053
1,3,5-tris(dec-9-enyl)-1,3,5-triazinane-2,4,6-trione
CID 135325486
1-undec-10-enylpyrrole-2,5-diol
CID 54078128
3-oct-7-enyl-1H-pyrimidine-2,4-dione
CID 169034521
1-(5-oxohexyl)-3-propylbenzimidazol-2-one
CID 62024547
5-(3-methyl-2-oxobenzimidazol-1-yl)pentanenitrile
CID 115576596
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
1-decyl-3-methylbenzimidazol-2-one
CID 116621203
1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 15848110
1-(4-oxohexyl)-3-propylbenzimidazol-2-one
CID 106801721

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hex-5-enyl)benzimidazol-2-one?
The IUPAC name of 1,3-bis(hex-5-enyl)benzimidazol-2-one (CID 155329274) is 1,3-bis(hex-5-enyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-bis(hex-5-enyl)benzimidazol-2-one?
The canonical SMILES for 1,3-bis(hex-5-enyl)benzimidazol-2-one is C=CCCCCn1c(=O)n(CCCCC=C)c2ccccc21.
What is the InChIKey of 1,3-bis(hex-5-enyl)benzimidazol-2-one?
The InChIKey is BZWSMGPOQKBNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-5-7-11-15-20-17-13-9-10-14-18(17)21(19(20)22)16-12-8-6-4-2/h3-4,9-10,13-14H,1-2,5-8,11-12,15-16H2.
What are the key properties of 1,3-bis(hex-5-enyl)benzimidazol-2-one?
1,3-bis(hex-5-enyl)benzimidazol-2-one has a molecular weight of 298.43 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hex-5-enyl)benzimidazol-2-one is sourced from PubChem (CID 155329274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).