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

C14H16N2O — CID 755066

IUPAC5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one
SMILESC=CCn1c(=O)n(CC=C)c2cc(C)ccc21
InChIInChI=1S/C14H16N2O/c1-4-8-15-12-7-6-11(3)10-13(12)16(9-5-2)14(15)17/h4-7,10H,1-2,8-9H2,3H3
InChIKeyQOOOFUQKMTVMSP-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.48
Rot. Bonds4

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

5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one (PubChem CID 755066) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one.

Molecular Properties

Compound Name5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one
PubChem CID755066
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one
SMILESC=CCn1c(=O)n(CC=C)c2cc(C)ccc21
InChIInChI=1S/C14H16N2O/c1-4-8-15-12-7-6-11(3)10-13(12)16(9-5-2)14(15)17/h4-7,10H,1-2,8-9H2,3H3
InChIKeyQOOOFUQKMTVMSP-UHFFFAOYSA-N
XLogP2.48
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one?
The IUPAC name of 5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one (CID 755066) is 5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one.
What is the SMILES notation for 5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one?
The canonical SMILES for 5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one is C=CCn1c(=O)n(CC=C)c2cc(C)ccc21.
What is the InChIKey of 5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one?
The InChIKey is QOOOFUQKMTVMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-8-15-12-7-6-11(3)10-13(12)16(9-5-2)14(15)17/h4-7,10H,1-2,8-9H2,3H3.
What are the key properties of 5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one?
5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one has a molecular weight of 228.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-bis(prop-2-enyl)benzimidazol-2-one is sourced from PubChem (CID 755066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).