1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole

C13H16N2O — CID 57043604

IUPAC1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole
SMILESCc1cc2c(cc1C)C(N1C=NCC1)OC2
InChIInChI=1S/C13H16N2O/c1-9-5-11-7-16-13(12(11)6-10(9)2)15-4-3-14-8-15/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyJDNPCYZYBYBFMQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.18
Rot. Bonds1

About 1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole

1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole (PubChem CID 57043604) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole
PubChem CID57043604
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole
SMILESCc1cc2c(cc1C)C(N1C=NCC1)OC2
InChIInChI=1S/C13H16N2O/c1-9-5-11-7-16-13(12(11)6-10(9)2)15-4-3-14-8-15/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyJDNPCYZYBYBFMQ-UHFFFAOYSA-N
XLogP2.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole?
The IUPAC name of 1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole (CID 57043604) is 1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole is Cc1cc2c(cc1C)C(N1C=NCC1)OC2.
What is the InChIKey of 1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole?
The InChIKey is JDNPCYZYBYBFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-11-7-16-13(12(11)6-10(9)2)15-4-3-14-8-15/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole?
1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole has a molecular weight of 216.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 57043604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).