1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one

C18H18N2O — CID 116621220

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC2Cc3ccccc32)c2ccccc21
InChIInChI=1S/C18H18N2O/c1-2-19-16-9-5-6-10-17(16)20(18(19)21)12-14-11-13-7-3-4-8-15(13)14/h3-10,14H,2,11-12H2,1H3
InChIKeyZYAMAEKVQMKQGR-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.16
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one (PubChem CID 116621220) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one
PubChem CID116621220
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC2Cc3ccccc32)c2ccccc21
InChIInChI=1S/C18H18N2O/c1-2-19-16-9-5-6-10-17(16)20(18(19)21)12-14-11-13-7-3-4-8-15(13)14/h3-10,14H,2,11-12H2,1H3
InChIKeyZYAMAEKVQMKQGR-UHFFFAOYSA-N
XLogP3.16
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one (CID 116621220) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one is CCn1c(=O)n(CC2Cc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one?
The InChIKey is ZYAMAEKVQMKQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-19-16-9-5-6-10-17(16)20(18(19)21)12-14-11-13-7-3-4-8-15(13)14/h3-10,14H,2,11-12H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one is sourced from PubChem (CID 116621220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).