2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide

C11H13BrN2O2 — CID 45262577

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide
SMILESBr.Oc1ccc2c(c1)OC(C1=NCCN1)C2
InChIInChI=1S/C11H12N2O2.BrH/c14-8-2-1-7-5-10(15-9(7)6-8)11-12-3-4-13-11;/h1-2,6,10,14H,3-5H2,(H,12,13);1H
InChIKeyXIWOBQWRGSGXLW-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.28
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide

2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide (PubChem CID 45262577) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide
PubChem CID45262577
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide
SMILESBr.Oc1ccc2c(c1)OC(C1=NCCN1)C2
InChIInChI=1S/C11H12N2O2.BrH/c14-8-2-1-7-5-10(15-9(7)6-8)11-12-3-4-13-11;/h1-2,6,10,14H,3-5H2,(H,12,13);1H
InChIKeyXIWOBQWRGSGXLW-UHFFFAOYSA-N
XLogP1.28
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide (CID 45262577) is 2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide is Br.Oc1ccc2c(c1)OC(C1=NCCN1)C2.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide?
The InChIKey is XIWOBQWRGSGXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.BrH/c14-8-2-1-7-5-10(15-9(7)6-8)11-12-3-4-13-11;/h1-2,6,10,14H,3-5H2,(H,12,13);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide?
2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide has a molecular weight of 285.14 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1-benzofuran-6-ol;hydrobromide is sourced from PubChem (CID 45262577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).