2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide

C23H20N4O2S — CID 38668529

IUPAC2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(OCc3ccccn3)c2)n1-c1ccccc1
InChIInChI=1S/C23H20N4O2S/c1-30-23-25-15-21(27(23)19-10-3-2-4-11-19)22(28)26-17-9-7-12-20(14-17)29-16-18-8-5-6-13-24-18/h2-15H,16H2,1H3,(H,26,28)
InChIKeyGJKDCEOSPZWCMI-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.82
Rot. Bonds7

About 2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide

2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide (PubChem CID 38668529) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide
PubChem CID38668529
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide
SMILESCSc1ncc(C(=O)Nc2cccc(OCc3ccccn3)c2)n1-c1ccccc1
InChIInChI=1S/C23H20N4O2S/c1-30-23-25-15-21(27(23)19-10-3-2-4-11-19)22(28)26-17-9-7-12-20(14-17)29-16-18-8-5-6-13-24-18/h2-15H,16H2,1H3,(H,26,28)
InChIKeyGJKDCEOSPZWCMI-UHFFFAOYSA-N
XLogP4.82
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide?
The IUPAC name of 2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide (CID 38668529) is 2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide is CSc1ncc(C(=O)Nc2cccc(OCc3ccccn3)c2)n1-c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide?
The InChIKey is GJKDCEOSPZWCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-30-23-25-15-21(27(23)19-10-3-2-4-11-19)22(28)26-17-9-7-12-20(14-17)29-16-18-8-5-6-13-24-18/h2-15H,16H2,1H3,(H,26,28).
What are the key properties of 2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide?
2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 38668529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).