5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one

C14H15N3O2 — CID 55053661

IUPAC5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(N)c3ccoc3)ccc21
InChIInChI=1S/C14H15N3O2/c1-16-11-4-3-9(7-12(11)17(2)14(16)18)13(15)10-5-6-19-8-10/h3-8,13H,15H2,1-2H3
InChIKeyBRWCWJHLYNSKEC-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.52
Rot. Bonds2

About 5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one

5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 55053661) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID55053661
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(N)c3ccoc3)ccc21
InChIInChI=1S/C14H15N3O2/c1-16-11-4-3-9(7-12(11)17(2)14(16)18)13(15)10-5-6-19-8-10/h3-8,13H,15H2,1-2H3
InChIKeyBRWCWJHLYNSKEC-UHFFFAOYSA-N
XLogP1.52
TPSA66.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one (CID 55053661) is 5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(N)c3ccoc3)ccc21.
What is the InChIKey of 5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is BRWCWJHLYNSKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16-11-4-3-9(7-12(11)17(2)14(16)18)13(15)10-5-6-19-8-10/h3-8,13H,15H2,1-2H3.
What are the key properties of 5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 55053661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).