4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine

C16H15F3N4S — CID 56867773

IUPAC4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(CCn2ccnc2-c2sccc2C)n1
InChIInChI=1S/C16H15F3N4S/c1-10-4-8-24-14(10)15-20-5-7-23(15)6-3-13-21-11(2)9-12(22-13)16(17,18)19/h4-5,7-9H,3,6H2,1-2H3
InChIKeyVBTHDOUCTDROLI-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.28
Rot. Bonds4

About 4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine

4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine (PubChem CID 56867773) has the molecular formula C16H15F3N4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine
PubChem CID56867773
Molecular FormulaC16H15F3N4S
Molecular Weight352.39 g/mol
Exact Mass352.10
IUPAC Name4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(CCn2ccnc2-c2sccc2C)n1
InChIInChI=1S/C16H15F3N4S/c1-10-4-8-24-14(10)15-20-5-7-23(15)6-3-13-21-11(2)9-12(22-13)16(17,18)19/h4-5,7-9H,3,6H2,1-2H3
InChIKeyVBTHDOUCTDROLI-UHFFFAOYSA-N
XLogP4.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
2-(4-Methyl-1-piperazinyl)-4-(3-thienyl)pyrimidine
CID 10753846
N,N-dimethyl-4-(1-methylimidazol-2-yl)thieno[3,2-d]pyrimidin-2-amine
CID 44449599
5-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329792
3-Imidazol-1-ylmethyl-2-thiophen-2-yl-pyridine
CID 57329793
5-(1-(1H-imidazol-1-yl)ethyl)-2-(thiophen-3-yl)pyridine
CID 57330005
5-(Cyclopropyl(1H-imidazol-1-yl)methyl)-2-(thiophen-3-yl)pyridine
CID 57330006
5-Imidazol-1-ylmethyl-2-thiophen-3-yl-pyridine
CID 67515607
4-N-butyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887431
1-methyl-4-(thiophen-3-yl)-1H-imidazole
CID 6539906

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine (CID 56867773) is 4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(CCn2ccnc2-c2sccc2C)n1.
What is the InChIKey of 4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is VBTHDOUCTDROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4S/c1-10-4-8-24-14(10)15-20-5-7-23(15)6-3-13-21-11(2)9-12(22-13)16(17,18)19/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine?
4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 352.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56867773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).