3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide

C17H19N3O2S — CID 70711712

IUPAC3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCSc1ncc(CNC(=O)c2oc3cc(C)ccc3c2C)n1C
InChIInChI=1S/C17H19N3O2S/c1-10-5-6-13-11(2)15(22-14(13)7-10)16(21)18-8-12-9-19-17(23-4)20(12)3/h5-7,9H,8H2,1-4H3,(H,18,21)
InChIKeyMZDRNABINWMVTP-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.44
Rot. Bonds4

About 3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide

3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 70711712) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID70711712
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCSc1ncc(CNC(=O)c2oc3cc(C)ccc3c2C)n1C
InChIInChI=1S/C17H19N3O2S/c1-10-5-6-13-11(2)15(22-14(13)7-10)16(21)18-8-12-9-19-17(23-4)20(12)3/h5-7,9H,8H2,1-4H3,(H,18,21)
InChIKeyMZDRNABINWMVTP-UHFFFAOYSA-N
XLogP3.44
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]thiophene-2-carboxamide
CID 131940296
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 70752728
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95749640
4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747890
3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2219584
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72866318
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35577324
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52988413
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131943923
N-[1-(cyanomethyl)pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95754850
3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 26835117

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide (CID 70711712) is 3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide is CSc1ncc(CNC(=O)c2oc3cc(C)ccc3c2C)n1C.
What is the InChIKey of 3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is MZDRNABINWMVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10-5-6-13-11(2)15(22-14(13)7-10)16(21)18-8-12-9-19-17(23-4)20(12)3/h5-7,9H,8H2,1-4H3,(H,18,21).
What are the key properties of 3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70711712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).