5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one

C14H11BrN2O3 — CID 62381370

IUPAC5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(C(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)c(C)o1
InChIInChI=1S/C14H11BrN2O3/c1-6-3-8(7(2)20-6)13(18)9-4-11-12(5-10(9)15)17-14(19)16-11/h3-5H,1-2H3,(H2,16,17,19)
InChIKeyCOWATUQLUKVPOS-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.06
Rot. Bonds2

About 5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 62381370) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID62381370
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(C(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)c(C)o1
InChIInChI=1S/C14H11BrN2O3/c1-6-3-8(7(2)20-6)13(18)9-4-11-12(5-10(9)15)17-14(19)16-11/h3-5H,1-2H3,(H2,16,17,19)
InChIKeyCOWATUQLUKVPOS-UHFFFAOYSA-N
XLogP3.06
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 62381370) is 5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one is Cc1cc(C(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)c(C)o1.
What is the InChIKey of 5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is COWATUQLUKVPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-6-3-8(7(2)20-6)13(18)9-4-11-12(5-10(9)15)17-14(19)16-11/h3-5H,1-2H3,(H2,16,17,19).
What are the key properties of 5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 335.16 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62381370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).