N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide

C17H15FN4OS — CID 53237693

IUPACN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccnc(NC(C)=O)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H15FN4OS/c1-10(23)20-14-9-12(7-8-19-14)16-15(21-17(22-16)24-2)11-3-5-13(18)6-4-11/h3-9H,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyHLSURCXVAOWAFT-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.96
Rot. Bonds4

About N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide

N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 53237693) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID53237693
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC NameN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccnc(NC(C)=O)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H15FN4OS/c1-10(23)20-14-9-12(7-8-19-14)16-15(21-17(22-16)24-2)11-3-5-13(18)6-4-11/h3-9H,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyHLSURCXVAOWAFT-UHFFFAOYSA-N
XLogP3.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Arpromidine
CID 65895
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-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757
2-{3H-Imidazo[4,5-B]pyridin-2-ylsulfanyl}-N-(2-phenylethyl)acetamide
CID 606016
4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazole
CID 667570
2-{4-[4-(4-Fluoro-phenyl)-3-(2-methoxy-ethyl)-2-methylsulfanyl-1H-imidazol-5-yl]-pyridin-2-ylamino}-propan-1-ol
CID 24905909
4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)-N-(tetrahydro-2H-pyran-4-yl)pyridin-2-amine
CID 44593521
N-(2-Ethylphenyl)-2-(3h-Imidazo[4,5-B]pyridin-2-Ylsulfanyl)acetamide
CID 1264291
Oxo-arpromidine
CID 25149244

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide (CID 53237693) is N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide is CSc1nc(-c2ccnc(NC(C)=O)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is HLSURCXVAOWAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-10(23)20-14-9-12(7-8-19-14)16-15(21-17(22-16)24-2)11-3-5-13(18)6-4-11/h3-9H,1-2H3,(H,21,22)(H,19,20,23).
What are the key properties of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 53237693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).