2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine

C20H24FN5O — CID 146040864

IUPAC2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine
SMILESCc1cc(C)n(-c2ccc(F)cc2-c2nccn2CC2CN(C)CCO2)n1
InChIInChI=1S/C20H24FN5O/c1-14-10-15(2)26(23-14)19-5-4-16(21)11-18(19)20-22-6-7-25(20)13-17-12-24(3)8-9-27-17/h4-7,10-11,17H,8-9,12-13H2,1-3H3
InChIKeyBVSUXHQOFGIYHK-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.82
Rot. Bonds4

About 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine

2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine (PubChem CID 146040864) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine
PubChem CID146040864
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine
SMILESCc1cc(C)n(-c2ccc(F)cc2-c2nccn2CC2CN(C)CCO2)n1
InChIInChI=1S/C20H24FN5O/c1-14-10-15(2)26(23-14)19-5-4-16(21)11-18(19)20-22-6-7-25(20)13-17-12-24(3)8-9-27-17/h4-7,10-11,17H,8-9,12-13H2,1-3H3
InChIKeyBVSUXHQOFGIYHK-UHFFFAOYSA-N
XLogP2.82
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[[2-(2-methylphenyl)imidazol-1-yl]methyl]morpholine
CID 154821341
4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]thiane 1,1-dioxide
CID 154817593
1-[(4-methylmorpholin-2-yl)methyl]imidazole-2-carbaldehyde
CID 79182107
[(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol
CID 146039524
2-[[2-(5-methoxy-1H-indazol-3-yl)imidazol-1-yl]methyl]-4-methylmorpholine
CID 154565707
2-[(5,6-difluorobenzimidazol-1-yl)methyl]-4-methylmorpholine
CID 116620895
1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole
CID 58130226
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542975
4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
CID 154823548
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
(2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine
CID 166770798
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine?
The IUPAC name of 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine (CID 146040864) is 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine?
The canonical SMILES for 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine is Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2CC2CN(C)CCO2)n1.
What is the InChIKey of 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine?
The InChIKey is BVSUXHQOFGIYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-14-10-15(2)26(23-14)19-5-4-16(21)11-18(19)20-22-6-7-25(20)13-17-12-24(3)8-9-27-17/h4-7,10-11,17H,8-9,12-13H2,1-3H3.
What are the key properties of 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine?
2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine has a molecular weight of 369.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]methyl]-4-methylmorpholine is sourced from PubChem (CID 146040864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).