1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine

C26H19N3O — CID 129021029

IUPAC1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccccc1-n1c(-c2cccc3c2oc2c(C)nccc23)nc2ccccc21
InChIInChI=1S/C26H19N3O/c1-16-8-3-5-12-22(16)29-23-13-6-4-11-21(23)28-26(29)20-10-7-9-18-19-14-15-27-17(2)24(19)30-25(18)20/h3-15H,1-2H3
InChIKeyGXWZMACVSYQDLM-UHFFFAOYSA-N
MW389.46 g/mol
LogP6.60
Rot. Bonds2

About 1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine

1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 129021029) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
PubChem CID129021029
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccccc1-n1c(-c2cccc3c2oc2c(C)nccc23)nc2ccccc21
InChIInChI=1S/C26H19N3O/c1-16-8-3-5-12-22(16)29-23-13-6-4-11-21(23)28-26(29)20-10-7-9-18-19-14-15-27-17(2)24(19)30-25(18)20/h3-15H,1-2H3
InChIKeyGXWZMACVSYQDLM-UHFFFAOYSA-N
XLogP6.60
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine (CID 129021029) is 1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine is Cc1ccccc1-n1c(-c2cccc3c2oc2c(C)nccc23)nc2ccccc21.
What is the InChIKey of 1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is GXWZMACVSYQDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c1-16-8-3-5-12-22(16)29-23-13-6-4-11-21(23)28-26(29)20-10-7-9-18-19-14-15-27-17(2)24(19)30-25(18)20/h3-15H,1-2H3.
What are the key properties of 1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine?
1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 389.46 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 129021029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).