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

C23H21N3O — CID 129021971

IUPAC8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3C)cccc12
InChIInChI=1S/C23H21N3O/c1-14(2)13-15-11-12-17-16-7-6-8-18(21(16)27-23(17)24-15)22-25-19-9-4-5-10-20(19)26(22)3/h4-12,14H,13H2,1-3H3
InChIKeyDGCUAHXKCAXANO-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.73
Rot. Bonds3

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

8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 129021971) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID129021971
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine
SMILESCC(C)Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3C)cccc12
InChIInChI=1S/C23H21N3O/c1-14(2)13-15-11-12-17-16-7-6-8-18(21(16)27-23(17)24-15)22-25-19-9-4-5-10-20(19)26(22)3/h4-12,14H,13H2,1-3H3
InChIKeyDGCUAHXKCAXANO-UHFFFAOYSA-N
XLogP5.73
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine (CID 129021971) is 8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine is CC(C)Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3C)cccc12.
What is the InChIKey of 8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is DGCUAHXKCAXANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-14(2)13-15-11-12-17-16-7-6-8-18(21(16)27-23(17)24-15)22-25-19-9-4-5-10-20(19)26(22)3/h4-12,14H,13H2,1-3H3.
What are the key properties of 8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine?
8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 355.44 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 129021971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).