8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C18H17N3O — CID 129021174

IUPAC8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)c1ccc2c(n1)oc1c(-c3nccn3C)cccc12
InChIInChI=1S/C18H17N3O/c1-11(2)15-8-7-13-12-5-4-6-14(16(12)22-18(13)20-15)17-19-9-10-21(17)3/h4-11H,1-3H3
InChIKeyNYCUYFGMRCACHB-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.50
Rot. Bonds2

About 8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 129021174) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
PubChem CID129021174
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)c1ccc2c(n1)oc1c(-c3nccn3C)cccc12
InChIInChI=1S/C18H17N3O/c1-11(2)15-8-7-13-12-5-4-6-14(16(12)22-18(13)20-15)17-19-9-10-21(17)3/h4-11H,1-3H3
InChIKeyNYCUYFGMRCACHB-UHFFFAOYSA-N
XLogP4.50
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 129021174) is 8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is CC(C)c1ccc2c(n1)oc1c(-c3nccn3C)cccc12.
What is the InChIKey of 8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is NYCUYFGMRCACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11(2)15-8-7-13-12-5-4-6-14(16(12)22-18(13)20-15)17-19-9-10-21(17)3/h4-11H,1-3H3.
What are the key properties of 8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 291.35 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 129021174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).