7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

C41H34N6O2 — CID 122492430

IUPAC7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(CN2c3ccccc3N(c3c(C)ccc4c3oc3ncccc34)[C@H]2C)[C@H]1C
InChIInChI=1S/C41H34N6O2/c1-24-17-19-28-30-11-9-21-42-40(30)48-38(28)36(24)46-26(3)44(32-13-5-7-15-34(32)46)23-45-27(4)47(35-16-8-6-14-33(35)45)37-25(2)18-20-29-31-12-10-22-43-41(31)49-39(29)37/h5-22,26-27H,23H2,1-4H3/t26-,27+
InChIKeyYERJNSUCVMZOCZ-MKPDMIMOSA-N
MW642.76 g/mol
LogP10.16
Rot. Bonds4

About 7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 122492430) has the molecular formula C41H34N6O2 and a molecular weight of 642.76 g/mol. Its IUPAC name is 7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID122492430
Molecular FormulaC41H34N6O2
Molecular Weight642.76 g/mol
Exact Mass642.27
IUPAC Name7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(CN2c3ccccc3N(c3c(C)ccc4c3oc3ncccc34)[C@H]2C)[C@H]1C
InChIInChI=1S/C41H34N6O2/c1-24-17-19-28-30-11-9-21-42-40(30)48-38(28)36(24)46-26(3)44(32-13-5-7-15-34(32)46)23-45-27(4)47(35-16-8-6-14-33(35)45)37-25(2)18-20-29-31-12-10-22-43-41(31)49-39(29)37/h5-22,26-27H,23H2,1-4H3/t26-,27+
InChIKeyYERJNSUCVMZOCZ-MKPDMIMOSA-N
XLogP10.16
TPSA65.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 122492430) is 7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(CN2c3ccccc3N(c3c(C)ccc4c3oc3ncccc34)[C@H]2C)[C@H]1C.
What is the InChIKey of 7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is YERJNSUCVMZOCZ-MKPDMIMOSA-N. The full InChI is InChI=1S/C41H34N6O2/c1-24-17-19-28-30-11-9-21-42-40(30)48-38(28)36(24)46-26(3)44(32-13-5-7-15-34(32)46)23-45-27(4)47(35-16-8-6-14-33(35)45)37-25(2)18-20-29-31-12-10-22-43-41(31)49-39(29)37/h5-22,26-27H,23H2,1-4H3/t26-,27+.
What are the key properties of 7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?
7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 642.76 g/mol, XLogP of 10.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 122492430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).