5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one

C15H15BrN2O3 — CID 62352175

IUPAC5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCc1occc1C(O)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C15H15BrN2O3/c1-8-9(4-5-21-8)14(19)10-6-12-13(7-11(10)16)18(3)15(20)17(12)2/h4-7,14,19H,1-3H3
InChIKeyJQZFUSZTJBTVLF-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.62
Rot. Bonds2

About 5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one

5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 62352175) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID62352175
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCc1occc1C(O)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C15H15BrN2O3/c1-8-9(4-5-21-8)14(19)10-6-12-13(7-11(10)16)18(3)15(20)17(12)2/h4-7,14,19H,1-3H3
InChIKeyJQZFUSZTJBTVLF-UHFFFAOYSA-N
XLogP2.62
TPSA60.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one (CID 62352175) is 5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one is Cc1occc1C(O)c1cc2c(cc1Br)n(C)c(=O)n2C.
What is the InChIKey of 5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is JQZFUSZTJBTVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-8-9(4-5-21-8)14(19)10-6-12-13(7-11(10)16)18(3)15(20)17(12)2/h4-7,14,19H,1-3H3.
What are the key properties of 5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 351.20 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[hydroxy-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 62352175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).