6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide

About 6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide

6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide (PubChem CID 67138316) has the molecular formula C25H32BrN5O3 and a molecular weight of 530.47 g/mol. Its IUPAC name is 6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide.

Molecular Properties

Compound Name	6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide
PubChem CID	67138316
Molecular Formula	C25H32BrN5O3
Molecular Weight	530.47 g/mol
Exact Mass	529.17
IUPAC Name	6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide
SMILES	Br.[H]/N=C1/c2cc(C(=O)NC)c(N(C)C)cc2CN1CC(=O)c1cc(NC)c2c(c1)C(C)(C)CO2
InChI	InChI=1S/C25H31N5O3.BrH/c1-25(2)13-33-22-18(25)7-14(8-19(22)27-3)21(31)12-30-11-15-9-20(29(5)6)17(24(32)28-4)10-16(15)23(30)26;/h7-10,26-27H,11-13H2,1-6H3,(H,28,32);1H/b26-23-;
InChIKey	GGTCTEIPDOTBFY-NYIQPMNJSA-N
XLogP	3.43
TPSA	97.76 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.47
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide?

The IUPAC name of 6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide (CID 67138316) is 6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide.

What is the SMILES notation for 6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide?

The canonical SMILES for 6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide is Br.[H]/N=C1/c2cc(C(=O)NC)c(N(C)C)cc2CN1CC(=O)c1cc(NC)c2c(c1)C(C)(C)CO2.

What is the InChIKey of 6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide?

The InChIKey is GGTCTEIPDOTBFY-NYIQPMNJSA-N. The full InChI is InChI=1S/C25H31N5O3.BrH/c1-25(2)13-33-22-18(25)7-14(8-19(22)27-3)21(31)12-30-11-15-9-20(29(5)6)17(24(32)28-4)10-16(15)23(30)26;/h7-10,26-27H,11-13H2,1-6H3,(H,28,32);1H/b26-23-;.

What are the key properties of 6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide?

6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide has a molecular weight of 530.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(dimethylamino)-2-[2-[3,3-dimethyl-7-(methylamino)-2H-1-benzofuran-5-yl]-2-oxoethyl]-3-imino-N-methyl-1H-isoindole-5-carboxamide;hydrobromide is sourced from PubChem (CID 67138316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).