5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one

C12H7BrN2O3 — CID 43462976

IUPAC5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1
InChIInChI=1S/C12H7BrN2O3/c13-10-4-3-9(18-10)11(16)6-1-2-7-8(5-6)15-12(17)14-7/h1-5H,(H2,14,15,17)
InChIKeyLLWHGZFFLUCPJT-UHFFFAOYSA-N
MW307.10 g/mol
LogP2.44
Rot. Bonds2

About 5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one

5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43462976) has the molecular formula C12H7BrN2O3 and a molecular weight of 307.10 g/mol. Its IUPAC name is 5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID43462976
Molecular FormulaC12H7BrN2O3
Molecular Weight307.10 g/mol
Exact Mass305.96
IUPAC Name5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1
InChIInChI=1S/C12H7BrN2O3/c13-10-4-3-9(18-10)11(16)6-1-2-7-8(5-6)15-12(17)14-7/h1-5H,(H2,14,15,17)
InChIKeyLLWHGZFFLUCPJT-UHFFFAOYSA-N
XLogP2.44
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide
CID 2232064
[2-Oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] furan-2-carboxylate
CID 17559746
5-(5-Methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 57833874
3-[5-(2-Oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-yl]propanal
CID 57834030
5-(5-Propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 126610112
Ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 144951341
5-(5-Sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 144951449
5-Bromo-N-(6-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)furan-2-carboxamide
CID 22434151
5-(2,3-Dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 43338649
5-[Amino-(5-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43384341
5-[Amino-(3-methylfuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43384344
5-[Amino-(5-bromofuran-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43384345

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 43462976) is 5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is O=C(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1.
What is the InChIKey of 5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LLWHGZFFLUCPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3/c13-10-4-3-9(18-10)11(16)6-1-2-7-8(5-6)15-12(17)14-7/h1-5H,(H2,14,15,17).
What are the key properties of 5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 307.10 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43462976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).