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

C20H12F2N4O — CID 135433004

IUPAC4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol
SMILESOc1cc(F)c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c(F)c1
InChIInChI=1S/C20H12F2N4O/c21-13-8-11(27)9-14(22)18(13)10-5-6-15-12(7-10)19(26-25-15)20-23-16-3-1-2-4-17(16)24-20/h1-9,27H,(H,23,24)(H,25,26)
InChIKeyOZEABGPSSQAFFV-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.76
Rot. Bonds2

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

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol (PubChem CID 135433004) has the molecular formula C20H12F2N4O and a molecular weight of 362.34 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol
PubChem CID135433004
Molecular FormulaC20H12F2N4O
Molecular Weight362.34 g/mol
Exact Mass362.10
IUPAC Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol
SMILESOc1cc(F)c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c(F)c1
InChIInChI=1S/C20H12F2N4O/c21-13-8-11(27)9-14(22)18(13)10-5-6-15-12(7-10)19(26-25-15)20-23-16-3-1-2-4-17(16)24-20/h1-9,27H,(H,23,24)(H,25,26)
InChIKeyOZEABGPSSQAFFV-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 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol (CID 135433004) is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol is Oc1cc(F)c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c(F)c1.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol?
The InChIKey is OZEABGPSSQAFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4O/c21-13-8-11(27)9-14(22)18(13)10-5-6-15-12(7-10)19(26-25-15)20-23-16-3-1-2-4-17(16)24-20/h1-9,27H,(H,23,24)(H,25,26).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol?
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-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 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol is sourced from PubChem (CID 135433004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).