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

C17H14N4O2 — CID 135839330

IUPAC4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1ccc2c(-c3ncc[nH]3)n[nH]c2c1
InChIInChI=1S/C17H14N4O2/c1-23-15-9-11(22)3-5-12(15)10-2-4-13-14(8-10)20-21-16(13)17-18-6-7-19-17/h2-9,22H,1H3,(H,18,19)(H,20,21)
InChIKeyNBGZTNCSOCIMCE-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.33
Rot. Bonds3

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

4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol (PubChem CID 135839330) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol
PubChem CID135839330
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1ccc2c(-c3ncc[nH]3)n[nH]c2c1
InChIInChI=1S/C17H14N4O2/c1-23-15-9-11(22)3-5-12(15)10-2-4-13-14(8-10)20-21-16(13)17-18-6-7-19-17/h2-9,22H,1H3,(H,18,19)(H,20,21)
InChIKeyNBGZTNCSOCIMCE-UHFFFAOYSA-N
XLogP3.33
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol?
The IUPAC name of 4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol (CID 135839330) is 4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol.
What is the SMILES notation for 4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol?
The canonical SMILES for 4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol is COc1cc(O)ccc1-c1ccc2c(-c3ncc[nH]3)n[nH]c2c1.
What is the InChIKey of 4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol?
The InChIKey is NBGZTNCSOCIMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-23-15-9-11(22)3-5-12(15)10-2-4-13-14(8-10)20-21-16(13)17-18-6-7-19-17/h2-9,22H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol?
4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol has a molecular weight of 306.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]-3-methoxyphenol is sourced from PubChem (CID 135839330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).