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

C23H25FN4OS — CID 52946709

IUPACN-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1C1CCCCC1
InChIInChI=1S/C23H25FN4OS/c1-15(29)26-20-14-17(12-13-25-20)22-21(16-8-10-18(24)11-9-16)27-23(30-2)28(22)19-6-4-3-5-7-19/h8-14,19H,3-7H2,1-2H3,(H,25,26,29)
InChIKeyPNWCTVWCTRGHPO-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.94
Rot. Bonds5

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

N-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 52946709) has the molecular formula C23H25FN4OS and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID52946709
Molecular FormulaC23H25FN4OS
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC NameN-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1C1CCCCC1
InChIInChI=1S/C23H25FN4OS/c1-15(29)26-20-14-17(12-13-25-20)22-21(16-8-10-18(24)11-9-16)27-23(30-2)28(22)19-6-4-3-5-7-19/h8-14,19H,3-7H2,1-2H3,(H,25,26,29)
InChIKeyPNWCTVWCTRGHPO-UHFFFAOYSA-N
XLogP5.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide (CID 52946709) is N-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide is CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1C1CCCCC1.
What is the InChIKey of N-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is PNWCTVWCTRGHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4OS/c1-15(29)26-20-14-17(12-13-25-20)22-21(16-8-10-18(24)11-9-16)27-23(30-2)28(22)19-6-4-3-5-7-19/h8-14,19H,3-7H2,1-2H3,(H,25,26,29).
What are the key properties of N-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyclohexyl-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 52946709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).