N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide

C21H23FN4O2S — CID 11315961

IUPACN-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCOCCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1
InChIInChI=1S/C21H23FN4O2S/c1-14(27)24-18-13-16(9-10-23-18)20-19(15-5-7-17(22)8-6-15)25-21(29-3)26(20)11-4-12-28-2/h5-10,13H,4,11-12H2,1-3H3,(H,23,24,27)
InChIKeyATXWBUFHRMPRTL-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.47
Rot. Bonds8

About N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide

N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 11315961) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID11315961
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC NameN-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCOCCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1
InChIInChI=1S/C21H23FN4O2S/c1-14(27)24-18-13-16(9-10-23-18)20-19(15-5-7-17(22)8-6-15)25-21(29-3)26(20)11-4-12-28-2/h5-10,13H,4,11-12H2,1-3H3,(H,23,24,27)
InChIKeyATXWBUFHRMPRTL-UHFFFAOYSA-N
XLogP4.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide (CID 11315961) is N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide is COCCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is ATXWBUFHRMPRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c1-14(27)24-18-13-16(9-10-23-18)20-19(15-5-7-17(22)8-6-15)25-21(29-3)26(20)11-4-12-28-2/h5-10,13H,4,11-12H2,1-3H3,(H,23,24,27).
What are the key properties of N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.47, 8 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-(3-methoxypropyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 11315961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).