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

C14H15N3O2 — CID 43464027

IUPAC5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)c(C)o1
InChIInChI=1S/C14H15N3O2/c1-7-5-10(8(2)19-7)13(15)9-3-4-11-12(6-9)17-14(18)16-11/h3-6,13H,15H2,1-2H3,(H2,16,17,18)
InChIKeyKRTIIHWXSVQBQT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.11
Rot. Bonds2

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

5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43464027) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43464027
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)c(C)o1
InChIInChI=1S/C14H15N3O2/c1-7-5-10(8(2)19-7)13(15)9-3-4-11-12(6-9)17-14(18)16-11/h3-6,13H,15H2,1-2H3,(H2,16,17,18)
InChIKeyKRTIIHWXSVQBQT-UHFFFAOYSA-N
XLogP2.11
TPSA87.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43464027) is 5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is Cc1cc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)c(C)o1.
What is the InChIKey of 5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KRTIIHWXSVQBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-7-5-10(8(2)19-7)13(15)9-3-4-11-12(6-9)17-14(18)16-11/h3-6,13H,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2,5-dimethylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43464027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).