2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine

C19H21N3O — CID 10267223

IUPAC2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine
SMILESCc1cc2c(c(C(CC3=NCCN3)c3ccccn3)c1)OCC2
InChIInChI=1S/C19H21N3O/c1-13-10-14-5-9-23-19(14)16(11-13)15(12-18-21-7-8-22-18)17-4-2-3-6-20-17/h2-4,6,10-11,15H,5,7-9,12H2,1H3,(H,21,22)
InChIKeyWHFINRGIUDAFLQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.85
Rot. Bonds4

About 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine

2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine (PubChem CID 10267223) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine
PubChem CID10267223
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine
SMILESCc1cc2c(c(C(CC3=NCCN3)c3ccccn3)c1)OCC2
InChIInChI=1S/C19H21N3O/c1-13-10-14-5-9-23-19(14)16(11-13)15(12-18-21-7-8-22-18)17-4-2-3-6-20-17/h2-4,6,10-11,15H,5,7-9,12H2,1H3,(H,21,22)
InChIKeyWHFINRGIUDAFLQ-UHFFFAOYSA-N
XLogP2.85
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine?
The IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine (CID 10267223) is 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine is Cc1cc2c(c(C(CC3=NCCN3)c3ccccn3)c1)OCC2.
What is the InChIKey of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine?
The InChIKey is WHFINRGIUDAFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-10-14-5-9-23-19(14)16(11-13)15(12-18-21-7-8-22-18)17-4-2-3-6-20-17/h2-4,6,10-11,15H,5,7-9,12H2,1H3,(H,21,22).
What are the key properties of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine?
2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine has a molecular weight of 307.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethyl]pyridine is sourced from PubChem (CID 10267223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).