5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole

C18H18N2O — CID 10492867

IUPAC5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESC1=NCC(CC2Cc3cc(-c4ccccc4)ccc3O2)N1
InChIInChI=1S/C18H18N2O/c1-2-4-13(5-3-1)14-6-7-18-15(8-14)9-17(21-18)10-16-11-19-12-20-16/h1-8,12,16-17H,9-11H2,(H,19,20)
InChIKeyJMWRFJRYQCSQNK-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.05
Rot. Bonds3

About 5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole

5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 10492867) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID10492867
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESC1=NCC(CC2Cc3cc(-c4ccccc4)ccc3O2)N1
InChIInChI=1S/C18H18N2O/c1-2-4-13(5-3-1)14-6-7-18-15(8-14)9-17(21-18)10-16-11-19-12-20-16/h1-8,12,16-17H,9-11H2,(H,19,20)
InChIKeyJMWRFJRYQCSQNK-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole (CID 10492867) is 5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole is C1=NCC(CC2Cc3cc(-c4ccccc4)ccc3O2)N1.
What is the InChIKey of 5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JMWRFJRYQCSQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-4-13(5-3-1)14-6-7-18-15(8-14)9-17(21-18)10-16-11-19-12-20-16/h1-8,12,16-17H,9-11H2,(H,19,20).
What are the key properties of 5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole?
5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 278.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10492867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).