3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine

C12H15N3O2 — CID 65017552

IUPAC3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine
SMILESCOc1ccc2nc(C3(N)CCOC3)[nH]c2c1
InChIInChI=1S/C12H15N3O2/c1-16-8-2-3-9-10(6-8)15-11(14-9)12(13)4-5-17-7-12/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyZPGNHYPOXBFNNQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.15
Rot. Bonds2

About 3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine

3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine (PubChem CID 65017552) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine
PubChem CID65017552
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine
SMILESCOc1ccc2nc(C3(N)CCOC3)[nH]c2c1
InChIInChI=1S/C12H15N3O2/c1-16-8-2-3-9-10(6-8)15-11(14-9)12(13)4-5-17-7-12/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyZPGNHYPOXBFNNQ-UHFFFAOYSA-N
XLogP1.15
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine?
The IUPAC name of 3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine (CID 65017552) is 3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for 3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine is COc1ccc2nc(C3(N)CCOC3)[nH]c2c1.
What is the InChIKey of 3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine?
The InChIKey is ZPGNHYPOXBFNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-8-2-3-9-10(6-8)15-11(14-9)12(13)4-5-17-7-12/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of 3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine?
3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine has a molecular weight of 233.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 65017552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).