[(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone

C22H16N2O2 — CID 51036319

IUPAC[(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone
SMILESO=C(c1nccn1-c1ccccc1)[C@H]1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C22H16N2O2/c25-21(22-23-12-13-24(22)16-7-2-1-3-8-16)20-14-18-17-9-5-4-6-15(17)10-11-19(18)26-20/h1-13,20H,14H2/t20-/m1/s1
InChIKeyCNLWQKHGRVSNIP-HXUWFJFHSA-N
MW340.38 g/mol
LogP4.21
Rot. Bonds3

About [(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone

[(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone (PubChem CID 51036319) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is [(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone
PubChem CID51036319
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name[(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone
SMILESO=C(c1nccn1-c1ccccc1)[C@H]1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C22H16N2O2/c25-21(22-23-12-13-24(22)16-7-2-1-3-8-16)20-14-18-17-9-5-4-6-15(17)10-11-19(18)26-20/h1-13,20H,14H2/t20-/m1/s1
InChIKeyCNLWQKHGRVSNIP-HXUWFJFHSA-N
XLogP4.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone?
The IUPAC name of [(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone (CID 51036319) is [(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone.
What is the SMILES notation for [(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone?
The canonical SMILES for [(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone is O=C(c1nccn1-c1ccccc1)[C@H]1Cc2c(ccc3ccccc23)O1.
What is the InChIKey of [(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone?
The InChIKey is CNLWQKHGRVSNIP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-21(22-23-12-13-24(22)16-7-2-1-3-8-16)20-14-18-17-9-5-4-6-15(17)10-11-19(18)26-20/h1-13,20H,14H2/t20-/m1/s1.
What are the key properties of [(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone?
[(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone has a molecular weight of 340.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-yl]-(1-phenylimidazol-2-yl)methanone is sourced from PubChem (CID 51036319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).