5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one

C20H18BrNO2 — CID 43912529

IUPAC5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1c(CC2C(=O)N(C)c3ccc(Br)cc32)oc2c(C)cccc12
InChIInChI=1S/C20H18BrNO2/c1-11-5-4-6-14-12(2)18(24-19(11)14)10-16-15-9-13(21)7-8-17(15)22(3)20(16)23/h4-9,16H,10H2,1-3H3
InChIKeyVYCZEFIVEUHCKE-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.11
Rot. Bonds2

About 5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one

5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 43912529) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
PubChem CID43912529
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Name5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1c(CC2C(=O)N(C)c3ccc(Br)cc32)oc2c(C)cccc12
InChIInChI=1S/C20H18BrNO2/c1-11-5-4-6-14-12(2)18(24-19(11)14)10-16-15-9-13(21)7-8-17(15)22(3)20(16)23/h4-9,16H,10H2,1-3H3
InChIKeyVYCZEFIVEUHCKE-UHFFFAOYSA-N
XLogP5.11
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one (CID 43912529) is 5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one is Cc1c(CC2C(=O)N(C)c3ccc(Br)cc32)oc2c(C)cccc12.
What is the InChIKey of 5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is VYCZEFIVEUHCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c1-11-5-4-6-14-12(2)18(24-19(11)14)10-16-15-9-13(21)7-8-17(15)22(3)20(16)23/h4-9,16H,10H2,1-3H3.
What are the key properties of 5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 384.27 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43912529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).