3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol

C20H12F2N4O — CID 135407057

IUPAC3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol
SMILESOc1ccc(F)c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1F
InChIInChI=1S/C20H12F2N4O/c21-12-6-8-16(27)18(22)17(12)10-5-7-13-11(9-10)19(26-25-13)20-23-14-3-1-2-4-15(14)24-20/h1-9,27H,(H,23,24)(H,25,26)
InChIKeyYKHFGUIOEZDZQC-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.76
Rot. Bonds2

About 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol

3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol (PubChem CID 135407057) has the molecular formula C20H12F2N4O and a molecular weight of 362.34 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol.

Molecular Properties

Compound Name3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol
PubChem CID135407057
Molecular FormulaC20H12F2N4O
Molecular Weight362.34 g/mol
Exact Mass362.10
IUPAC Name3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol
SMILESOc1ccc(F)c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1F
InChIInChI=1S/C20H12F2N4O/c21-12-6-8-16(27)18(22)17(12)10-5-7-13-11(9-10)19(26-25-13)20-23-14-3-1-2-4-15(14)24-20/h1-9,27H,(H,23,24)(H,25,26)
InChIKeyYKHFGUIOEZDZQC-UHFFFAOYSA-N
XLogP4.76
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol?
The IUPAC name of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol (CID 135407057) is 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol.
What is the SMILES notation for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol?
The canonical SMILES for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol is Oc1ccc(F)c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1F.
What is the InChIKey of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol?
The InChIKey is YKHFGUIOEZDZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4O/c21-12-6-8-16(27)18(22)17(12)10-5-7-13-11(9-10)19(26-25-13)20-23-14-3-1-2-4-15(14)24-20/h1-9,27H,(H,23,24)(H,25,26).
What are the key properties of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol?
3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol has a molecular weight of 362.34 g/mol, XLogP of 4.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol is sourced from PubChem (CID 135407057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).