2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one

C17H16N2O2 — CID 23043791

IUPAC2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one
SMILESCc1nccn1CC1CCc2oc3ccccc3c2C1=O
InChIInChI=1S/C17H16N2O2/c1-11-18-8-9-19(11)10-12-6-7-15-16(17(12)20)13-4-2-3-5-14(13)21-15/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyYXXPLJCTVQLYRE-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.38
Rot. Bonds2

About 2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one

2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one (PubChem CID 23043791) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one.

Molecular Properties

Compound Name2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one
PubChem CID23043791
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one
SMILESCc1nccn1CC1CCc2oc3ccccc3c2C1=O
InChIInChI=1S/C17H16N2O2/c1-11-18-8-9-19(11)10-12-6-7-15-16(17(12)20)13-4-2-3-5-14(13)21-15/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyYXXPLJCTVQLYRE-UHFFFAOYSA-N
XLogP3.38
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one?
The IUPAC name of 2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one (CID 23043791) is 2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one.
What is the SMILES notation for 2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one?
The canonical SMILES for 2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one is Cc1nccn1CC1CCc2oc3ccccc3c2C1=O.
What is the InChIKey of 2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one?
The InChIKey is YXXPLJCTVQLYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-18-8-9-19(11)10-12-6-7-15-16(17(12)20)13-4-2-3-5-14(13)21-15/h2-5,8-9,12H,6-7,10H2,1H3.
What are the key properties of 2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one?
2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one has a molecular weight of 280.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-dibenzofuran-1-one is sourced from PubChem (CID 23043791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).