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

C20H12F2N4O — CID 135494217

IUPAC2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol
SMILESOc1cc(F)cc(F)c1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C20H12F2N4O/c21-11-8-13(22)18(17(27)9-11)10-5-6-14-12(7-10)19(26-25-14)20-23-15-3-1-2-4-16(15)24-20/h1-9,27H,(H,23,24)(H,25,26)
InChIKeyUDMGQXHPSAUJQP-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.76
Rot. Bonds2

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

2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol (PubChem CID 135494217) has the molecular formula C20H12F2N4O and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol.

Molecular Properties

Compound Name2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol
PubChem CID135494217
Molecular FormulaC20H12F2N4O
Molecular Weight362.34 g/mol
Exact Mass362.10
IUPAC Name2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol
SMILESOc1cc(F)cc(F)c1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C20H12F2N4O/c21-11-8-13(22)18(17(27)9-11)10-5-6-14-12(7-10)19(26-25-14)20-23-15-3-1-2-4-16(15)24-20/h1-9,27H,(H,23,24)(H,25,26)
InChIKeyUDMGQXHPSAUJQP-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 2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol?
The IUPAC name of 2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol (CID 135494217) is 2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol.
What is the SMILES notation for 2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol?
The canonical SMILES for 2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol is Oc1cc(F)cc(F)c1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of 2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol?
The InChIKey is UDMGQXHPSAUJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4O/c21-11-8-13(22)18(17(27)9-11)10-5-6-14-12(7-10)19(26-25-14)20-23-15-3-1-2-4-16(15)24-20/h1-9,27H,(H,23,24)(H,25,26).
What are the key properties of 2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol?
2-[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 2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol is sourced from PubChem (CID 135494217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).