3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide

C22H23FN4O3S — CID 166435307

IUPAC3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cncn3-c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C22H23FN4O3S/c1-16-3-2-12-26(14-16)31(29,30)20-10-6-18(7-11-20)25-22(28)21-13-24-15-27(21)19-8-4-17(23)5-9-19/h4-11,13,15-16H,2-3,12,14H2,1H3,(H,25,28)
InChIKeyVDKYLWKCBPUIRY-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.68
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide

3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide (PubChem CID 166435307) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide
PubChem CID166435307
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cncn3-c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C22H23FN4O3S/c1-16-3-2-12-26(14-16)31(29,30)20-10-6-18(7-11-20)25-22(28)21-13-24-15-27(21)19-8-4-17(23)5-9-19/h4-11,13,15-16H,2-3,12,14H2,1H3,(H,25,28)
InChIKeyVDKYLWKCBPUIRY-UHFFFAOYSA-N
XLogP3.68
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide (CID 166435307) is 3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cncn3-c3ccc(F)cc3)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide?
The InChIKey is VDKYLWKCBPUIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-16-3-2-12-26(14-16)31(29,30)20-10-6-18(7-11-20)25-22(28)21-13-24-15-27(21)19-8-4-17(23)5-9-19/h4-11,13,15-16H,2-3,12,14H2,1H3,(H,25,28).
What are the key properties of 3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide?
3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazole-4-carboxamide is sourced from PubChem (CID 166435307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).