[1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol

C18H16N4O — CID 21106920

IUPAC[1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol
SMILESOCc1cn(-c2nn(Cc3ccccc3)c3ccccc23)cn1
InChIInChI=1S/C18H16N4O/c23-12-15-11-21(13-19-15)18-16-8-4-5-9-17(16)22(20-18)10-14-6-2-1-3-7-14/h1-9,11,13,23H,10,12H2
InChIKeyAMGLVYGPAUHSIN-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.76
Rot. Bonds4

About [1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol

[1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol (PubChem CID 21106920) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is [1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol
PubChem CID21106920
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name[1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol
SMILESOCc1cn(-c2nn(Cc3ccccc3)c3ccccc23)cn1
InChIInChI=1S/C18H16N4O/c23-12-15-11-21(13-19-15)18-16-8-4-5-9-17(16)22(20-18)10-14-6-2-1-3-7-14/h1-9,11,13,23H,10,12H2
InChIKeyAMGLVYGPAUHSIN-UHFFFAOYSA-N
XLogP2.76
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol?
The IUPAC name of [1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol (CID 21106920) is [1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol.
What is the SMILES notation for [1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol?
The canonical SMILES for [1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol is OCc1cn(-c2nn(Cc3ccccc3)c3ccccc23)cn1.
What is the InChIKey of [1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol?
The InChIKey is AMGLVYGPAUHSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-12-15-11-21(13-19-15)18-16-8-4-5-9-17(16)22(20-18)10-14-6-2-1-3-7-14/h1-9,11,13,23H,10,12H2.
What are the key properties of [1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol?
[1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol has a molecular weight of 304.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzylindazol-3-yl)imidazol-4-yl]methanol is sourced from PubChem (CID 21106920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).