4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol

C21H16N4O2 — CID 135446004

IUPAC4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)ccc1O
InChIInChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)
InChIKeyGYPHGCGOSZJXOT-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.49
Rot. Bonds3

About 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol (PubChem CID 135446004) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol
PubChem CID135446004
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)ccc1O
InChIInChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)
InChIKeyGYPHGCGOSZJXOT-UHFFFAOYSA-N
XLogP4.49
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol (CID 135446004) is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol is COc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)ccc1O.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol?
The InChIKey is GYPHGCGOSZJXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol?
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol has a molecular weight of 356.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol is sourced from PubChem (CID 135446004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).