N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide

C22H19FN4O2S — CID 67598442

IUPACN-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H19FN4O2S/c1-30(28,29)26-14-16-2-8-20(9-3-16)27-15-25-21(17-4-6-19(23)7-5-17)22(27)18-10-12-24-13-11-18/h2-13,15,26H,14H2,1H3
InChIKeyIGNIZWUYCLNTAU-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.79
Rot. Bonds6

About N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide

N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide (PubChem CID 67598442) has the molecular formula C22H19FN4O2S and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide
PubChem CID67598442
Molecular FormulaC22H19FN4O2S
Molecular Weight422.49 g/mol
Exact Mass422.12
IUPAC NameN-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H19FN4O2S/c1-30(28,29)26-14-16-2-8-20(9-3-16)27-15-25-21(17-4-6-19(23)7-5-17)22(27)18-10-12-24-13-11-18/h2-13,15,26H,14H2,1H3
InChIKeyIGNIZWUYCLNTAU-UHFFFAOYSA-N
XLogP3.79
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide (CID 67598442) is N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is IGNIZWUYCLNTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S/c1-30(28,29)26-14-16-2-8-20(9-3-16)27-15-25-21(17-4-6-19(23)7-5-17)22(27)18-10-12-24-13-11-18/h2-13,15,26H,14H2,1H3.
What are the key properties of N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide?
N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 422.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 67598442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).