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

C14H19N3O2 — CID 79515037

IUPAC2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol
SMILESCCC(C)N1C(N)=NCC12COc1cc(O)ccc12
InChIInChI=1S/C14H19N3O2/c1-3-9(2)17-13(15)16-7-14(17)8-19-12-6-10(18)4-5-11(12)14/h4-6,9,18H,3,7-8H2,1-2H3,(H2,15,16)
InChIKeyVTWDBIDDRUNARJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.41
Rot. Bonds2

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

2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol (PubChem CID 79515037) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol.

Molecular Properties

Compound Name2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol
PubChem CID79515037
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol
SMILESCCC(C)N1C(N)=NCC12COc1cc(O)ccc12
InChIInChI=1S/C14H19N3O2/c1-3-9(2)17-13(15)16-7-14(17)8-19-12-6-10(18)4-5-11(12)14/h4-6,9,18H,3,7-8H2,1-2H3,(H2,15,16)
InChIKeyVTWDBIDDRUNARJ-UHFFFAOYSA-N
XLogP1.41
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol?
The IUPAC name of 2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol (CID 79515037) is 2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol.
What is the SMILES notation for 2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol?
The canonical SMILES for 2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol is CCC(C)N1C(N)=NCC12COc1cc(O)ccc12.
What is the InChIKey of 2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol?
The InChIKey is VTWDBIDDRUNARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-9(2)17-13(15)16-7-14(17)8-19-12-6-10(18)4-5-11(12)14/h4-6,9,18H,3,7-8H2,1-2H3,(H2,15,16).
What are the key properties of 2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol?
2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol has a molecular weight of 261.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-1'-butan-2-ylspiro[2H-1-benzofuran-3,5'-4H-imidazole]-6-ol is sourced from PubChem (CID 79515037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).