5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one

C72H62Br2N8O10 — CID 165052324

IUPAC5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one
SMILESCC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2cc(Br)ccc21.CC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2cc(O)ccc21.CC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2ccc(Br)cc21.CC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2ccc(O)cc21
InChIInChI=1S/2C18H15BrN2O2.2C18H16N2O3/c1-18(13-8-10(19)6-7-11(13)17(23)21-18)16-12-4-2-3-5-14(12)20-15(16)9-22;1-18(13-7-6-10(19)8-12(13)17(23)21-18)16-11-4-2-3-5-14(11)20-15(16)9-22;1-18(13-8-10(22)6-7-11(13)17(23)20-18)16-12-4-2-3-5-14(12)19-15(16)9-21;1-18(13-7-6-10(22)8-12(13)17(23)20-18)16-11-4-2-3-5-14(11)19-15(16)9-21/h2*2-8,20,22H,9H2,1H3,(H,21,23);2*2-8,19,21-22H,9H2,1H3,(H,20,23)
InChIKeyPVZWETIPPACMTN-UHFFFAOYSA-N
MW1359.14 g/mol
LogP11.60
Rot. Bonds8

About 5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one

5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one (PubChem CID 165052324) has the molecular formula C72H62Br2N8O10 and a molecular weight of 1359.14 g/mol. Its IUPAC name is 5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one.

Molecular Properties

Compound Name5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one
PubChem CID165052324
Molecular FormulaC72H62Br2N8O10
Molecular Weight1359.14 g/mol
Exact Mass1356.30
IUPAC Name5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one
SMILESCC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2cc(Br)ccc21.CC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2cc(O)ccc21.CC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2ccc(Br)cc21.CC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2ccc(O)cc21
InChIInChI=1S/2C18H15BrN2O2.2C18H16N2O3/c1-18(13-8-10(19)6-7-11(13)17(23)21-18)16-12-4-2-3-5-14(12)20-15(16)9-22;1-18(13-7-6-10(19)8-12(13)17(23)21-18)16-11-4-2-3-5-14(11)20-15(16)9-22;1-18(13-8-10(22)6-7-11(13)17(23)20-18)16-12-4-2-3-5-14(12)19-15(16)9-21;1-18(13-7-6-10(22)8-12(13)17(23)20-18)16-11-4-2-3-5-14(11)19-15(16)9-21/h2*2-8,20,22H,9H2,1H3,(H,21,23);2*2-8,19,21-22H,9H2,1H3,(H,20,23)
InChIKeyPVZWETIPPACMTN-UHFFFAOYSA-N
XLogP11.60
TPSA300.94 Ų
H-Bond Donors14
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001359.14
LogP ≤ 511.60
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1010

Analyze 5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one?
The IUPAC name of 5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one (CID 165052324) is 5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one.
What is the SMILES notation for 5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one?
The canonical SMILES for 5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one is CC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2cc(Br)ccc21.CC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2cc(O)ccc21.CC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2ccc(Br)cc21.CC1(c2c(CO)[nH]c3ccccc23)NC(=O)c2ccc(O)cc21.
What is the InChIKey of 5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one?
The InChIKey is PVZWETIPPACMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15BrN2O2.2C18H16N2O3/c1-18(13-8-10(19)6-7-11(13)17(23)21-18)16-12-4-2-3-5-14(12)20-15(16)9-22;1-18(13-7-6-10(19)8-12(13)17(23)21-18)16-11-4-2-3-5-14(11)20-15(16)9-22;1-18(13-8-10(22)6-7-11(13)17(23)20-18)16-12-4-2-3-5-14(12)19-15(16)9-21;1-18(13-7-6-10(22)8-12(13)17(23)20-18)16-11-4-2-3-5-14(11)19-15(16)9-21/h2*2-8,20,22H,9H2,1H3,(H,21,23);2*2-8,19,21-22H,9H2,1H3,(H,20,23).
What are the key properties of 5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one?
5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one has a molecular weight of 1359.14 g/mol, XLogP of 11.60, 8 rotatable bonds, 14 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-bromo-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;5-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one;6-hydroxy-3-[2-(hydroxymethyl)-1H-indol-3-yl]-3-methyl-2H-isoindol-1-one is sourced from PubChem (CID 165052324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).