1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine

C17H23FN4O2S — CID 68746995

IUPAC1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)N2CCCC(C)C2)c(-c2ccccc2F)n1
InChIInChI=1S/C17H23FN4O2S/c1-13-6-5-9-21(11-13)25(23,24)22-12-14(10-19-2)20-17(22)15-7-3-4-8-16(15)18/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3
InChIKeyQOOKRGXRMFEFRL-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.23
Rot. Bonds5

About 1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine

1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine (PubChem CID 68746995) has the molecular formula C17H23FN4O2S and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine
PubChem CID68746995
Molecular FormulaC17H23FN4O2S
Molecular Weight366.46 g/mol
Exact Mass366.15
IUPAC Name1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)N2CCCC(C)C2)c(-c2ccccc2F)n1
InChIInChI=1S/C17H23FN4O2S/c1-13-6-5-9-21(11-13)25(23,24)22-12-14(10-19-2)20-17(22)15-7-3-4-8-16(15)18/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3
InChIKeyQOOKRGXRMFEFRL-UHFFFAOYSA-N
XLogP2.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-but-2-enedioic acid;1-[2-(2-fluorophenyl)-1-thiophen-3-ylsulfonylimidazol-4-yl]-N-methylmethanamine
CID 68746051
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 7989802
1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
CID 75872723
4-fluoro-1-(3-methylpiperidin-1-yl)sulfonylspiro[2H-indole-3,1'-cyclobutane]
CID 102558277
N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide
CID 136576495
N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide
CID 7423212
2-[2-(3-methylpiperidin-1-yl)sulfonylethyl]isoindole-1,3-dione
CID 16811271
N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977939
1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865729
[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109330682
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
5-(2-fluorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]furan-2-carboxamide
CID 51948414

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine (CID 68746995) is 1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine is CNCc1cn(S(=O)(=O)N2CCCC(C)C2)c(-c2ccccc2F)n1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine?
The InChIKey is QOOKRGXRMFEFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2S/c1-13-6-5-9-21(11-13)25(23,24)22-12-14(10-19-2)20-17(22)15-7-3-4-8-16(15)18/h3-4,7-8,12-13,19H,5-6,9-11H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine?
1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine has a molecular weight of 366.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-1-(3-methylpiperidin-1-yl)sulfonylimidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 68746995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).