N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide

C15H18FN3O2S — CID 78796401

IUPACN-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1cnc(SC)n1-c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2S/c1-3-18(8-9-20)14(21)13-10-17-15(22-2)19(13)12-6-4-11(16)5-7-12/h4-7,10,20H,3,8-9H2,1-2H3
InChIKeyKBINFLFPWMCKOJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.19
Rot. Bonds6

About N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide

N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide (PubChem CID 78796401) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide
PubChem CID78796401
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1cnc(SC)n1-c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2S/c1-3-18(8-9-20)14(21)13-10-17-15(22-2)19(13)12-6-4-11(16)5-7-12/h4-7,10,20H,3,8-9H2,1-2H3
InChIKeyKBINFLFPWMCKOJ-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide (CID 78796401) is N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide is CCN(CCO)C(=O)c1cnc(SC)n1-c1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide?
The InChIKey is KBINFLFPWMCKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-3-18(8-9-20)14(21)13-10-17-15(22-2)19(13)12-6-4-11(16)5-7-12/h4-7,10,20H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide?
N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-methylsulfanylimidazole-4-carboxamide is sourced from PubChem (CID 78796401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).