5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole

C20H25BrN6O4S — CID 144679920

IUPAC5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole
SMILESCC.CNC(=O)c1c(-n2ccnc2)oc2cc(N(C)S(C)(=O)=O)c(Br)cc12.c1c[nH]cn1
InChIInChI=1S/C15H15BrN4O4S.C3H4N2.C2H6/c1-17-14(21)13-9-6-10(16)11(19(2)25(3,22)23)7-12(9)24-15(13)20-5-4-18-8-20;1-2-5-3-4-1;1-2/h4-8H,1-3H3,(H,17,21);1-3H,(H,4,5);1-2H3
InChIKeySLMCDLHIZSHZHJ-UHFFFAOYSA-N
MW525.43 g/mol
LogP3.57
Rot. Bonds4

About 5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole

5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole (PubChem CID 144679920) has the molecular formula C20H25BrN6O4S and a molecular weight of 525.43 g/mol. Its IUPAC name is 5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole.

Molecular Properties

Compound Name5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole
PubChem CID144679920
Molecular FormulaC20H25BrN6O4S
Molecular Weight525.43 g/mol
Exact Mass524.08
IUPAC Name5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole
SMILESCC.CNC(=O)c1c(-n2ccnc2)oc2cc(N(C)S(C)(=O)=O)c(Br)cc12.c1c[nH]cn1
InChIInChI=1S/C15H15BrN4O4S.C3H4N2.C2H6/c1-17-14(21)13-9-6-10(16)11(19(2)25(3,22)23)7-12(9)24-15(13)20-5-4-18-8-20;1-2-5-3-4-1;1-2/h4-8H,1-3H3,(H,17,21);1-3H,(H,4,5);1-2H3
InChIKeySLMCDLHIZSHZHJ-UHFFFAOYSA-N
XLogP3.57
TPSA126.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-carboxamide
CID 90332525
5-bromo-2-(4-fluoro-2-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 102364319
2-(4-fluorophenyl)-N,5-dimethyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435876
2-(4-fluorophenyl)-5-[3-[3-(imidazol-1-ylmethyl)-1H-indol-2-yl]phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123821459
N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 126486436
5-bromo-6-(dimethylamino)-2-formyl-N-methyl-1-benzofuran-3-carboxamide
CID 144681550
2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89434418
N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide
CID 126602725
N-[5-bromo-3-propanoyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 161359861
5-[5-(1-benzofuran-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71510925
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(3-phenyl-1,2-benzoxazol-5-yl)-1-benzofuran-3-carboxamide
CID 71295319
6-(ethylsulfonylamino)-5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-imidazol-1-yl-N-methyl-1-benzofuran-3-carboxamide
CID 118590228

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole?
The IUPAC name of 5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole (CID 144679920) is 5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole.
What is the SMILES notation for 5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole?
The canonical SMILES for 5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole is CC.CNC(=O)c1c(-n2ccnc2)oc2cc(N(C)S(C)(=O)=O)c(Br)cc12.c1c[nH]cn1.
What is the InChIKey of 5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole?
The InChIKey is SLMCDLHIZSHZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O4S.C3H4N2.C2H6/c1-17-14(21)13-9-6-10(16)11(19(2)25(3,22)23)7-12(9)24-15(13)20-5-4-18-8-20;1-2-5-3-4-1;1-2/h4-8H,1-3H3,(H,17,21);1-3H,(H,4,5);1-2H3.
What are the key properties of 5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole?
5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole has a molecular weight of 525.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-imidazol-1-yl-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;ethane;1H-imidazole is sourced from PubChem (CID 144679920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).