2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole

C18H16N2O — CID 58947269

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole
SMILESCc1ccccc1-n1ccnc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C18H16N2O/c1-13-4-2-3-5-16(13)20-10-9-19-18(20)15-6-7-17-14(12-15)8-11-21-17/h2-7,9-10,12H,8,11H2,1H3
InChIKeyPHKFQSWIINSQPE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.78
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole

2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole (PubChem CID 58947269) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole
PubChem CID58947269
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole
SMILESCc1ccccc1-n1ccnc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C18H16N2O/c1-13-4-2-3-5-16(13)20-10-9-19-18(20)15-6-7-17-14(12-15)8-11-21-17/h2-7,9-10,12H,8,11H2,1H3
InChIKeyPHKFQSWIINSQPE-UHFFFAOYSA-N
XLogP3.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole (CID 58947269) is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole is Cc1ccccc1-n1ccnc1-c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole?
The InChIKey is PHKFQSWIINSQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-4-2-3-5-16(13)20-10-9-19-18(20)15-6-7-17-14(12-15)8-11-21-17/h2-7,9-10,12H,8,11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole?
2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole has a molecular weight of 276.34 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole is sourced from PubChem (CID 58947269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).