1,3-bis(oct-7-enyl)benzimidazol-2-one

C23H34N2O — CID 155329209

IUPAC1,3-bis(oct-7-enyl)benzimidazol-2-one
SMILESC=CCCCCCCn1c(=O)n(CCCCCCC=C)c2ccccc21
InChIInChI=1S/C23H34N2O/c1-3-5-7-9-11-15-19-24-21-17-13-14-18-22(21)25(23(24)26)20-16-12-10-8-6-4-2/h3-4,13-14,17-18H,1-2,5-12,15-16,19-20H2
InChIKeyDHKCNGZXSOCITM-UHFFFAOYSA-N
MW354.54 g/mol
LogP6.08
Rot. Bonds14

About 1,3-bis(oct-7-enyl)benzimidazol-2-one

1,3-bis(oct-7-enyl)benzimidazol-2-one (PubChem CID 155329209) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 1,3-bis(oct-7-enyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-bis(oct-7-enyl)benzimidazol-2-one
PubChem CID155329209
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name1,3-bis(oct-7-enyl)benzimidazol-2-one
SMILESC=CCCCCCCn1c(=O)n(CCCCCCC=C)c2ccccc21
InChIInChI=1S/C23H34N2O/c1-3-5-7-9-11-15-19-24-21-17-13-14-18-22(21)25(23(24)26)20-16-12-10-8-6-4-2/h3-4,13-14,17-18H,1-2,5-12,15-16,19-20H2
InChIKeyDHKCNGZXSOCITM-UHFFFAOYSA-N
XLogP6.08
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 56.08
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(hex-5-enyl)benzimidazol-2-one
CID 155329274
1,3-bis(but-3-enyl)benzimidazol-2-one
CID 155329278
1,3,5-tris(dec-9-enyl)-1,3,5-triazinane-2,4,6-trione
CID 135325486
1,3,5-tris(hept-6-enyl)-1,3,5-triazinane-2,4,6-trione
CID 153323053
1-undec-10-enylpyrrole-2,5-diol
CID 54078128
3-oct-7-enyl-1H-pyrimidine-2,4-dione
CID 169034521
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-oct-7-enylpyrrole-2,5-dione
CID 175459396
1-undec-10-enylpyrrole-2,5-dione
CID 86066335
1-(5-oxohexyl)-3-propylbenzimidazol-2-one
CID 62024547

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(oct-7-enyl)benzimidazol-2-one?
The IUPAC name of 1,3-bis(oct-7-enyl)benzimidazol-2-one (CID 155329209) is 1,3-bis(oct-7-enyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-bis(oct-7-enyl)benzimidazol-2-one?
The canonical SMILES for 1,3-bis(oct-7-enyl)benzimidazol-2-one is C=CCCCCCCn1c(=O)n(CCCCCCC=C)c2ccccc21.
What is the InChIKey of 1,3-bis(oct-7-enyl)benzimidazol-2-one?
The InChIKey is DHKCNGZXSOCITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-3-5-7-9-11-15-19-24-21-17-13-14-18-22(21)25(23(24)26)20-16-12-10-8-6-4-2/h3-4,13-14,17-18H,1-2,5-12,15-16,19-20H2.
What are the key properties of 1,3-bis(oct-7-enyl)benzimidazol-2-one?
1,3-bis(oct-7-enyl)benzimidazol-2-one has a molecular weight of 354.54 g/mol, XLogP of 6.08, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(oct-7-enyl)benzimidazol-2-one is sourced from PubChem (CID 155329209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).