N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide

C18H17N3OS — CID 853540

IUPACN-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide
SMILESCSc1nc(-c2ccccc2)cn1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H17N3OS/c1-13(22)19-15-8-10-16(11-9-15)21-12-17(20-18(21)23-2)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,22)
InChIKeyIYUHRJHASXUFGF-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.22
Rot. Bonds4

About N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide

N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide (PubChem CID 853540) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide
PubChem CID853540
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide
SMILESCSc1nc(-c2ccccc2)cn1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H17N3OS/c1-13(22)19-15-8-10-16(11-9-15)21-12-17(20-18(21)23-2)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,22)
InChIKeyIYUHRJHASXUFGF-UHFFFAOYSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide (CID 853540) is N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide is CSc1nc(-c2ccccc2)cn1-c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide?
The InChIKey is IYUHRJHASXUFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13(22)19-15-8-10-16(11-9-15)21-12-17(20-18(21)23-2)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,22).
What are the key properties of N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide?
N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfanyl-4-phenylimidazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 853540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).