6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole

C32H23N5 — CID 166718274

IUPAC6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc2c1nc1n(-c3nccc4c3c3ccccc3n4Cc3ccccc3)c3ccccc3n21
InChIInChI=1S/C32H23N5/c1-21-10-9-17-28-30(21)34-32-36(28)25-15-7-8-16-26(25)37(32)31-29-23-13-5-6-14-24(23)35(27(29)18-19-33-31)20-22-11-3-2-4-12-22/h2-19H,20H2,1H3
InChIKeyIYMFIUOZFJODRI-UHFFFAOYSA-N
MW477.57 g/mol
LogP7.29
Rot. Bonds3

About 6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole

6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 166718274) has the molecular formula C32H23N5 and a molecular weight of 477.57 g/mol. Its IUPAC name is 6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole
PubChem CID166718274
Molecular FormulaC32H23N5
Molecular Weight477.57 g/mol
Exact Mass477.20
IUPAC Name6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc2c1nc1n(-c3nccc4c3c3ccccc3n4Cc3ccccc3)c3ccccc3n21
InChIInChI=1S/C32H23N5/c1-21-10-9-17-28-30(21)34-32-36(28)25-15-7-8-16-26(25)37(32)31-29-23-13-5-6-14-24(23)35(27(29)18-19-33-31)20-22-11-3-2-4-12-22/h2-19H,20H2,1H3
InChIKeyIYMFIUOZFJODRI-UHFFFAOYSA-N
XLogP7.29
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole (CID 166718274) is 6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole is Cc1cccc2c1nc1n(-c3nccc4c3c3ccccc3n4Cc3ccccc3)c3ccccc3n21.
What is the InChIKey of 6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is IYMFIUOZFJODRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N5/c1-21-10-9-17-28-30(21)34-32-36(28)25-15-7-8-16-26(25)37(32)31-29-23-13-5-6-14-24(23)35(27(29)18-19-33-31)20-22-11-3-2-4-12-22/h2-19H,20H2,1H3.
What are the key properties of 6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole?
6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 477.57 g/mol, XLogP of 7.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-benzylpyrido[4,3-b]indol-1-yl)-4-methylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 166718274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).