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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Related Compounds

5-bromo-3-(2-furylmethyl)-1,3-dihydro-2H-indol-2-one
CID 2994253
4-(5-bromo-1-benzofuran-2-yl)-N,N-dimethylaniline
CID 20625554
(3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 26367368
3-[(5-Fluoro-3-methyl-1-benzofuran-2-YL)methyl]-1-methyl-2,3-dihydro-1H-indol-2-one
CID 43912425
(3S)-1-methyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3H-indol-2-one
CID 98160418
3-(5-Bromo-2-hydroxyphenyl)-1-((5-(trifluoromethyl)furan-2-yl)methyl)indolin-2-one
CID 67359272
5-bromo-1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one;2-methyl-5-(trifluoromethyl)furan
CID 143309428
(2S,11S,12S)-15-bromo-12-(furan-2-yl)-9-oxa-1-azapentacyclo[11.6.1.02,11.03,8.017,20]icosa-3,5,7,13,15,17(20)-hexaene
CID 134952284
3-(1-Benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one
CID 134959861
1-benzyl-5-bromo-3-(2-naphthalen-2-yl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-yl)-3H-indol-2-one
CID 166438178
(2E,4E)-N-(4-bromophenyl)-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-phenylpenta-2,4-dienamide
CID 177854325
(3R)-1-methyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3H-indol-2-one
CID 26367398

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).