3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide

C22H18N4OS — CID 36542645

IUPAC3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1cncn1-c1ccccc1
InChIInChI=1S/C22H18N4OS/c27-22(21-14-24-16-26(21)19-6-2-1-3-7-19)25-18-8-10-20(11-9-18)28-15-17-5-4-12-23-13-17/h1-14,16H,15H2,(H,25,27)
InChIKeyLKUZLRLCXWPNRO-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.81
Rot. Bonds6

About 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide

3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide (PubChem CID 36542645) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide
PubChem CID36542645
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1cncn1-c1ccccc1
InChIInChI=1S/C22H18N4OS/c27-22(21-14-24-16-26(21)19-6-2-1-3-7-19)25-18-8-10-20(11-9-18)28-15-17-5-4-12-23-13-17/h1-14,16H,15H2,(H,25,27)
InChIKeyLKUZLRLCXWPNRO-UHFFFAOYSA-N
XLogP4.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide (CID 36542645) is 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide is O=C(Nc1ccc(SCc2cccnc2)cc1)c1cncn1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide?
The InChIKey is LKUZLRLCXWPNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-22(21-14-24-16-26(21)19-6-2-1-3-7-19)25-18-8-10-20(11-9-18)28-15-17-5-4-12-23-13-17/h1-14,16H,15H2,(H,25,27).
What are the key properties of 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide?
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 36542645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).