1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole

C14H15F3N2O2S — CID 75379554

IUPAC1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole
SMILESCC(c1ccc(OC(F)(F)F)cc1)S(=O)Cc1nccn1C
InChIInChI=1S/C14H15F3N2O2S/c1-10(22(20)9-13-18-7-8-19(13)2)11-3-5-12(6-4-11)21-14(15,16)17/h3-8,10H,9H2,1-2H3
InChIKeySFIMTTCPYNCGIO-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.33
Rot. Bonds5

About 1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole

1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole (PubChem CID 75379554) has the molecular formula C14H15F3N2O2S and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole
PubChem CID75379554
Molecular FormulaC14H15F3N2O2S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole
SMILESCC(c1ccc(OC(F)(F)F)cc1)S(=O)Cc1nccn1C
InChIInChI=1S/C14H15F3N2O2S/c1-10(22(20)9-13-18-7-8-19(13)2)11-3-5-12(6-4-11)21-14(15,16)17/h3-8,10H,9H2,1-2H3
InChIKeySFIMTTCPYNCGIO-UHFFFAOYSA-N
XLogP3.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 105049951
2-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 61214878
2-(1-ethylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105009337
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75484161
3-[[(S)-[(1S)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-4-methyl-1,2,4-triazole
CID 99602099
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
2-methylsulfinyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115896100
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-yl]methanamine
CID 62221603
N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60880817
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole?
The IUPAC name of 1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole (CID 75379554) is 1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole.
What is the SMILES notation for 1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole?
The canonical SMILES for 1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole is CC(c1ccc(OC(F)(F)F)cc1)S(=O)Cc1nccn1C.
What is the InChIKey of 1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole?
The InChIKey is SFIMTTCPYNCGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2S/c1-10(22(20)9-13-18-7-8-19(13)2)11-3-5-12(6-4-11)21-14(15,16)17/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole?
1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole has a molecular weight of 332.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethylsulfinylmethyl]imidazole is sourced from PubChem (CID 75379554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).