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

C24H17FN4O2S — CID 52943072

IUPACN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide
SMILESCSc1nc(-c2ccnc(NC(=O)c3cc4ccccc4o3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C24H17FN4O2S/c1-32-24-28-21(14-6-8-17(25)9-7-14)22(29-24)16-10-11-26-20(13-16)27-23(30)19-12-15-4-2-3-5-18(15)31-19/h2-13H,1H3,(H,28,29)(H,26,27,30)
InChIKeyFLCDUKHYFHBVKY-UHFFFAOYSA-N
MW444.49 g/mol
LogP6.00
Rot. Bonds5

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

N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide (PubChem CID 52943072) has the molecular formula C24H17FN4O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide
PubChem CID52943072
Molecular FormulaC24H17FN4O2S
Molecular Weight444.49 g/mol
Exact Mass444.11
IUPAC NameN-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide
SMILESCSc1nc(-c2ccnc(NC(=O)c3cc4ccccc4o3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C24H17FN4O2S/c1-32-24-28-21(14-6-8-17(25)9-7-14)22(29-24)16-10-11-26-20(13-16)27-23(30)19-12-15-4-2-3-5-18(15)31-19/h2-13H,1H3,(H,28,29)(H,26,27,30)
InChIKeyFLCDUKHYFHBVKY-UHFFFAOYSA-N
XLogP6.00
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide 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)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide (CID 52943072) is N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide is CSc1nc(-c2ccnc(NC(=O)c3cc4ccccc4o3)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]-1-benzofuran-2-carboxamide?
The InChIKey is FLCDUKHYFHBVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2S/c1-32-24-28-21(14-6-8-17(25)9-7-14)22(29-24)16-10-11-26-20(13-16)27-23(30)19-12-15-4-2-3-5-18(15)31-19/h2-13H,1H3,(H,28,29)(H,26,27,30).
What are the key properties of N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide?
N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 6.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 52943072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).