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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Related Compounds

[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine
CID 115443684
4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline
CID 115913040
2-(6-methoxy-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763151
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine
CID 115292241
(5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97120689
3-(4-chloro-1H-benzimidazol-2-yl)oxolan-3-amine
CID 64888623
3-(4-methylsulfonyl-1H-benzimidazol-2-yl)oxolan-3-amine
CID 82008099
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925
1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine
CID 81161162
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884

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).