2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

C34H32N6O2 — CID 155607566

IUPAC2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C=CN(CCCCN4C=CN(c5cccc6c5oc5nc(C)ccc56)C4)C3)cccc12
InChIInChI=1S/C34H32N6O2/c1-23-11-13-27-25-7-5-9-29(31(25)41-33(27)35-23)39-19-17-37(21-39)15-3-4-16-38-18-20-40(22-38)30-10-6-8-26-28-14-12-24(2)36-34(28)42-32(26)30/h5-14,17-20H,3-4,15-16,21-22H2,1-2H3
InChIKeyXJIFDWUSZFOAMY-UHFFFAOYSA-N
MW556.67 g/mol
LogP7.47
Rot. Bonds7

About 2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 155607566) has the molecular formula C34H32N6O2 and a molecular weight of 556.67 g/mol. Its IUPAC name is 2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID155607566
Molecular FormulaC34H32N6O2
Molecular Weight556.67 g/mol
Exact Mass556.26
IUPAC Name2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C=CN(CCCCN4C=CN(c5cccc6c5oc5nc(C)ccc56)C4)C3)cccc12
InChIInChI=1S/C34H32N6O2/c1-23-11-13-27-25-7-5-9-29(31(25)41-33(27)35-23)39-19-17-37(21-39)15-3-4-16-38-18-20-40(22-38)30-10-6-8-26-28-14-12-24(2)36-34(28)42-32(26)30/h5-14,17-20H,3-4,15-16,21-22H2,1-2H3
InChIKeyXJIFDWUSZFOAMY-UHFFFAOYSA-N
XLogP7.47
TPSA65.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 155607566) is 2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(N3C=CN(CCCCN4C=CN(c5cccc6c5oc5nc(C)ccc56)C4)C3)cccc12.
What is the InChIKey of 2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is XJIFDWUSZFOAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O2/c1-23-11-13-27-25-7-5-9-29(31(25)41-33(27)35-23)39-19-17-37(21-39)15-3-4-16-38-18-20-40(22-38)30-10-6-8-26-28-14-12-24(2)36-34(28)42-32(26)30/h5-14,17-20H,3-4,15-16,21-22H2,1-2H3.
What are the key properties of 2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 556.67 g/mol, XLogP of 7.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[3-[4-[3-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-imidazol-1-yl]butyl]-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155607566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).