N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide

C24H21FN4O2S — CID 11826457

IUPACN-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3c(-c4ccc(F)cc4)nc(SC)n3C)ccn2)cc1
InChIInChI=1S/C24H21FN4O2S/c1-29-22(21(28-24(29)32-3)15-4-8-18(25)9-5-15)17-12-13-26-20(14-17)27-23(30)16-6-10-19(31-2)11-7-16/h4-14H,1-3H3,(H,26,27,30)
InChIKeyJQDHHMODXIURJP-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.27
Rot. Bonds6

About N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide

N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide (PubChem CID 11826457) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide
PubChem CID11826457
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC NameN-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3c(-c4ccc(F)cc4)nc(SC)n3C)ccn2)cc1
InChIInChI=1S/C24H21FN4O2S/c1-29-22(21(28-24(29)32-3)15-4-8-18(25)9-5-15)17-12-13-26-20(14-17)27-23(30)16-6-10-19(31-2)11-7-16/h4-14H,1-3H3,(H,26,27,30)
InChIKeyJQDHHMODXIURJP-UHFFFAOYSA-N
XLogP5.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide (CID 11826457) is N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3c(-c4ccc(F)cc4)nc(SC)n3C)ccn2)cc1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is JQDHHMODXIURJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c1-29-22(21(28-24(29)32-3)15-4-8-18(25)9-5-15)17-12-13-26-20(14-17)27-23(30)16-6-10-19(31-2)11-7-16/h4-14H,1-3H3,(H,26,27,30).
What are the key properties of N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide?
N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide has a molecular weight of 448.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 11826457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).