2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

C19H19N3O — CID 135243113

IUPAC2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-n3ccnc3CC(C)C)cccc12
InChIInChI=1S/C19H19N3O/c1-12(2)11-17-20-9-10-22(17)16-6-4-5-14-15-8-7-13(3)21-19(15)23-18(14)16/h4-10,12H,11H2,1-3H3
InChIKeySCZDTIUXNLEJBM-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.67
Rot. Bonds3

About 2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 135243113) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID135243113
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-n3ccnc3CC(C)C)cccc12
InChIInChI=1S/C19H19N3O/c1-12(2)11-17-20-9-10-22(17)16-6-4-5-14-15-8-7-13(3)21-19(15)23-18(14)16/h4-10,12H,11H2,1-3H3
InChIKeySCZDTIUXNLEJBM-UHFFFAOYSA-N
XLogP4.67
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 135243113) is 2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-n3ccnc3CC(C)C)cccc12.
What is the InChIKey of 2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is SCZDTIUXNLEJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-12(2)11-17-20-9-10-22(17)16-6-4-5-14-15-8-7-13(3)21-19(15)23-18(14)16/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 305.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[2-(2-methylpropyl)imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 135243113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).