N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide

C18H17FN4O2S — CID 162649217

IUPACN-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(-c3ccc(F)cc3)nc(S(C)=O)n2C)cn1
InChIInChI=1S/C18H17FN4O2S/c1-11(24)21-15-9-6-13(10-20-15)17-16(12-4-7-14(19)8-5-12)22-18(23(17)2)26(3)25/h4-10H,1-3H3,(H,20,21,24)
InChIKeyGCFIASDOZHNRKP-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.98
Rot. Bonds4

About N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide

N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 162649217) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID162649217
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(-c3ccc(F)cc3)nc(S(C)=O)n2C)cn1
InChIInChI=1S/C18H17FN4O2S/c1-11(24)21-15-9-6-13(10-20-15)17-16(12-4-7-14(19)8-5-12)22-18(23(17)2)26(3)25/h4-10H,1-3H3,(H,20,21,24)
InChIKeyGCFIASDOZHNRKP-UHFFFAOYSA-N
XLogP2.98
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide (CID 162649217) is N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2c(-c3ccc(F)cc3)nc(S(C)=O)n2C)cn1.
What is the InChIKey of N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is GCFIASDOZHNRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-11(24)21-15-9-6-13(10-20-15)17-16(12-4-7-14(19)8-5-12)22-18(23(17)2)26(3)25/h4-10H,1-3H3,(H,20,21,24).
What are the key properties of N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide?
N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 162649217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).