2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol

C13H17N3O2 — CID 79497253

IUPAC2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol
SMILESCC(C)N1C(N)=NCC12COc1cc(O)ccc12
InChIInChI=1S/C13H17N3O2/c1-8(2)16-12(14)15-6-13(16)7-18-11-5-9(17)3-4-10(11)13/h3-5,8,17H,6-7H2,1-2H3,(H2,14,15)
InChIKeyOXOVNCCJHJMKFC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.02
Rot. Bonds1

About 2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol

2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol (PubChem CID 79497253) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol.

Molecular Properties

Compound Name2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol
PubChem CID79497253
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol
SMILESCC(C)N1C(N)=NCC12COc1cc(O)ccc12
InChIInChI=1S/C13H17N3O2/c1-8(2)16-12(14)15-6-13(16)7-18-11-5-9(17)3-4-10(11)13/h3-5,8,17H,6-7H2,1-2H3,(H2,14,15)
InChIKeyOXOVNCCJHJMKFC-UHFFFAOYSA-N
XLogP1.02
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol?
The IUPAC name of 2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol (CID 79497253) is 2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol.
What is the SMILES notation for 2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol?
The canonical SMILES for 2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol is CC(C)N1C(N)=NCC12COc1cc(O)ccc12.
What is the InChIKey of 2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol?
The InChIKey is OXOVNCCJHJMKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)16-12(14)15-6-13(16)7-18-11-5-9(17)3-4-10(11)13/h3-5,8,17H,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol?
2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol has a molecular weight of 247.30 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-1'-propan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol is sourced from PubChem (CID 79497253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).