[2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine

C12H11N3O — CID 79004543

IUPAC[2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(-c3ccoc3)[nH]c2c1
InChIInChI=1S/C12H11N3O/c13-6-8-1-2-10-11(5-8)15-12(14-10)9-3-4-16-7-9/h1-5,7H,6,13H2,(H,14,15)
InChIKeyTYVGIUUEKQBGCQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.28
Rot. Bonds2

About [2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine

[2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004543) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is [2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine
PubChem CID79004543
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name[2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(-c3ccoc3)[nH]c2c1
InChIInChI=1S/C12H11N3O/c13-6-8-1-2-10-11(5-8)15-12(14-10)9-3-4-16-7-9/h1-5,7H,6,13H2,(H,14,15)
InChIKeyTYVGIUUEKQBGCQ-UHFFFAOYSA-N
XLogP2.28
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine (CID 79004543) is [2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine is NCc1ccc2nc(-c3ccoc3)[nH]c2c1.
What is the InChIKey of [2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is TYVGIUUEKQBGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-6-8-1-2-10-11(5-8)15-12(14-10)9-3-4-16-7-9/h1-5,7H,6,13H2,(H,14,15).
What are the key properties of [2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine?
[2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 213.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).