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

C13H13N3O2 — CID 43384347

IUPAC5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1occc1C(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H13N3O2/c1-7-9(4-5-18-7)12(14)8-2-3-10-11(6-8)16-13(17)15-10/h2-6,12H,14H2,1H3,(H2,15,16,17)
InChIKeyNIUWPHVIMUHEBV-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.81
Rot. Bonds2

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

5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43384347) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43384347
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1occc1C(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H13N3O2/c1-7-9(4-5-18-7)12(14)8-2-3-10-11(6-8)16-13(17)15-10/h2-6,12H,14H2,1H3,(H2,15,16,17)
InChIKeyNIUWPHVIMUHEBV-UHFFFAOYSA-N
XLogP1.81
TPSA87.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43384347) is 5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is Cc1occc1C(N)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NIUWPHVIMUHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-7-9(4-5-18-7)12(14)8-2-3-10-11(6-8)16-13(17)15-10/h2-6,12H,14H2,1H3,(H2,15,16,17).
What are the key properties of 5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43384347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).