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

C23H19FN4OS — CID 155568639

IUPACN-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(SCc3ccccc3)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H19FN4OS/c1-15(29)26-20-13-18(11-12-25-20)22-21(17-7-9-19(24)10-8-17)27-23(28-22)30-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,27,28)(H,25,26,29)
InChIKeyAZQRUTJNKDXVPR-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.53
Rot. Bonds6

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

N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 155568639) has the molecular formula C23H19FN4OS and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID155568639
Molecular FormulaC23H19FN4OS
Molecular Weight418.50 g/mol
Exact Mass418.13
IUPAC NameN-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(SCc3ccccc3)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H19FN4OS/c1-15(29)26-20-13-18(11-12-25-20)22-21(17-7-9-19(24)10-8-17)27-23(28-22)30-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,27,28)(H,25,26,29)
InChIKeyAZQRUTJNKDXVPR-UHFFFAOYSA-N
XLogP5.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide (CID 155568639) is N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nc(SCc3ccccc3)[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is AZQRUTJNKDXVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4OS/c1-15(29)26-20-13-18(11-12-25-20)22-21(17-7-9-19(24)10-8-17)27-23(28-22)30-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,27,28)(H,25,26,29).
What are the key properties of N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 155568639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).