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

C20H14N4O — CID 135839328

IUPAC3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol
SMILESOc1cccc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C20H14N4O/c25-14-5-3-4-12(10-14)13-8-9-15-18(11-13)23-24-19(15)20-21-16-6-1-2-7-17(16)22-20/h1-11,25H,(H,21,22)(H,23,24)
InChIKeyCFVWLSFPWIECRQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.48
Rot. Bonds2

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

3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol (PubChem CID 135839328) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol
PubChem CID135839328
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol
SMILESOc1cccc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C20H14N4O/c25-14-5-3-4-12(10-14)13-8-9-15-18(11-13)23-24-19(15)20-21-16-6-1-2-7-17(16)22-20/h1-11,25H,(H,21,22)(H,23,24)
InChIKeyCFVWLSFPWIECRQ-UHFFFAOYSA-N
XLogP4.48
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.48
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-6-yl]phenol?
The IUPAC name of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol (CID 135839328) is 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol.
What is the SMILES notation for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol?
The canonical SMILES for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol is Oc1cccc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c1.
What is the InChIKey of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol?
The InChIKey is CFVWLSFPWIECRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c25-14-5-3-4-12(10-14)13-8-9-15-18(11-13)23-24-19(15)20-21-16-6-1-2-7-17(16)22-20/h1-11,25H,(H,21,22)(H,23,24).
What are the key properties of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol?
3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]phenol has a molecular weight of 326.36 g/mol, XLogP of 4.48, 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-6-yl]phenol is sourced from PubChem (CID 135839328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).