2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole

C17H18N4O — CID 138387378

IUPAC2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
SMILESCc1nc(-c2nccn2-c2cccc3c2CCO3)n(C)c1C
InChIInChI=1S/C17H18N4O/c1-11-12(2)20(3)17(19-11)16-18-8-9-21(16)14-5-4-6-15-13(14)7-10-22-15/h4-6,8-9H,7,10H2,1-3H3
InChIKeySSWUBGIXGQFLGO-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.82
Rot. Bonds2

About 2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole

2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole (PubChem CID 138387378) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
PubChem CID138387378
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
SMILESCc1nc(-c2nccn2-c2cccc3c2CCO3)n(C)c1C
InChIInChI=1S/C17H18N4O/c1-11-12(2)20(3)17(19-11)16-18-8-9-21(16)14-5-4-6-15-13(14)7-10-22-15/h4-6,8-9H,7,10H2,1-3H3
InChIKeySSWUBGIXGQFLGO-UHFFFAOYSA-N
XLogP2.82
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole?
The IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole (CID 138387378) is 2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole.
What is the SMILES notation for 2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole?
The canonical SMILES for 2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole is Cc1nc(-c2nccn2-c2cccc3c2CCO3)n(C)c1C.
What is the InChIKey of 2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole?
The InChIKey is SSWUBGIXGQFLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-12(2)20(3)17(19-11)16-18-8-9-21(16)14-5-4-6-15-13(14)7-10-22-15/h4-6,8-9H,7,10H2,1-3H3.
What are the key properties of 2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole?
2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole has a molecular weight of 294.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole is sourced from PubChem (CID 138387378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).