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

C12H10BrN3O2 — CID 43384345

IUPAC5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1
InChIInChI=1S/C12H10BrN3O2/c13-10-4-3-9(18-10)11(14)6-1-2-7-8(5-6)16-12(17)15-7/h1-5,11H,14H2,(H2,15,16,17)
InChIKeyQOBOKHPSESDJGA-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.26
Rot. Bonds2

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

5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43384345) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43384345
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1
InChIInChI=1S/C12H10BrN3O2/c13-10-4-3-9(18-10)11(14)6-1-2-7-8(5-6)16-12(17)15-7/h1-5,11H,14H2,(H2,15,16,17)
InChIKeyQOBOKHPSESDJGA-UHFFFAOYSA-N
XLogP2.26
TPSA87.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43384345) is 5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is NC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1.
What is the InChIKey of 5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QOBOKHPSESDJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c13-10-4-3-9(18-10)11(14)6-1-2-7-8(5-6)16-12(17)15-7/h1-5,11H,14H2,(H2,15,16,17).
What are the key properties of 5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 308.14 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43384345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).