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

C12H11N3O2 — CID 43464025

IUPAC5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccoc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H11N3O2/c13-11(8-3-4-17-6-8)7-1-2-9-10(5-7)15-12(16)14-9/h1-6,11H,13H2,(H2,14,15,16)
InChIKeyBUIKLPNIPGQXEZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.50
Rot. Bonds2

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

5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43464025) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43464025
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccoc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H11N3O2/c13-11(8-3-4-17-6-8)7-1-2-9-10(5-7)15-12(16)14-9/h1-6,11H,13H2,(H2,14,15,16)
InChIKeyBUIKLPNIPGQXEZ-UHFFFAOYSA-N
XLogP1.50
TPSA87.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43464025) is 5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is NC(c1ccoc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BUIKLPNIPGQXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-11(8-3-4-17-6-8)7-1-2-9-10(5-7)15-12(16)14-9/h1-6,11H,13H2,(H2,14,15,16).
What are the key properties of 5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 229.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(furan-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43464025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).