N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide

C20H21FN4OS — CID 11014483

IUPACN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1
InChIInChI=1S/C20H21FN4OS/c1-4-11-25-19(15-9-10-22-17(12-15)23-13(2)26)18(24-20(25)27-3)14-5-7-16(21)8-6-14/h5-10,12H,4,11H2,1-3H3,(H,22,23,26)
InChIKeyUYBDXIMPPOMYJD-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.84
Rot. Bonds6

About N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide

N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 11014483) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID11014483
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC NameN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1
InChIInChI=1S/C20H21FN4OS/c1-4-11-25-19(15-9-10-22-17(12-15)23-13(2)26)18(24-20(25)27-3)14-5-7-16(21)8-6-14/h5-10,12H,4,11H2,1-3H3,(H,22,23,26)
InChIKeyUYBDXIMPPOMYJD-UHFFFAOYSA-N
XLogP4.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

VK-19911
CID 9797240
Cbs-3595
CID 11639342
{4-[5-(4-Fluoro-phenyl)-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-(1-phenyl-ethyl)-amine
CID 10862355
ML-3403
CID 6419739
4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridine
CID 9795838
N-{6-[6-Amino-5-(Trifluoromethyl)pyridin-3-Yl]imidazo[1,2-A]pyridin-2-Yl}acetamide
CID 59251679
2-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}ethanamine
CID 118656528
3-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656529
4-(2-Fluorophenyl)-12-(pyridin-4-ylmethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 9976743
N-[6-(2-fluorophenyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071901
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propionamide
CID 44444862
Cyclopropanecarboxylic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444863

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide (CID 11014483) is N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide is CCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is UYBDXIMPPOMYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-4-11-25-19(15-9-10-22-17(12-15)23-13(2)26)18(24-20(25)27-3)14-5-7-16(21)8-6-14/h5-10,12H,4,11H2,1-3H3,(H,22,23,26).
What are the key properties of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 11014483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).