N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide

C18H19N3OS2 — CID 55773686

IUPACN-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCSc1nccn1-c1cccc(C(=O)N(C)Cc2sccc2C)c1
InChIInChI=1S/C18H19N3OS2/c1-13-7-10-24-16(13)12-20(2)17(22)14-5-4-6-15(11-14)21-9-8-19-18(21)23-3/h4-11H,12H2,1-3H3
InChIKeyOZRLRMROJWXXMD-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.24
Rot. Bonds5

About N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide

N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 55773686) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID55773686
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC NameN-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCSc1nccn1-c1cccc(C(=O)N(C)Cc2sccc2C)c1
InChIInChI=1S/C18H19N3OS2/c1-13-7-10-24-16(13)12-20(2)17(22)14-5-4-6-15(11-14)21-9-8-19-18(21)23-3/h4-11H,12H2,1-3H3
InChIKeyOZRLRMROJWXXMD-UHFFFAOYSA-N
XLogP4.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 55773686) is N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide is CSc1nccn1-c1cccc(C(=O)N(C)Cc2sccc2C)c1.
What is the InChIKey of N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is OZRLRMROJWXXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-13-7-10-24-16(13)12-20(2)17(22)14-5-4-6-15(11-14)21-9-8-19-18(21)23-3/h4-11H,12H2,1-3H3.
What are the key properties of N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 357.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 55773686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).