5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

C14H10ClF3N4O2S2 — CID 176842784

IUPAC5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)s1
InChIInChI=1S/C14H10ClF3N4O2S2/c1-26(23,24)12-3-2-9(25-12)13-21-10(14(16,17)18)6-22(13)7-11-19-4-8(15)5-20-11/h2-6H,7H2,1H3
InChIKeyOEICEKMAQQODTI-UHFFFAOYSA-N
MW422.84 g/mol
LogP3.53
Rot. Bonds4

About 5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 176842784) has the molecular formula C14H10ClF3N4O2S2 and a molecular weight of 422.84 g/mol. Its IUPAC name is 5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID176842784
Molecular FormulaC14H10ClF3N4O2S2
Molecular Weight422.84 g/mol
Exact Mass421.99
IUPAC Name5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)s1
InChIInChI=1S/C14H10ClF3N4O2S2/c1-26(23,24)12-3-2-9(25-12)13-21-10(14(16,17)18)6-22(13)7-11-19-4-8(15)5-20-11/h2-6H,7H2,1H3
InChIKeyOEICEKMAQQODTI-UHFFFAOYSA-N
XLogP3.53
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-[[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842774
5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 177117758
5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 177117738
5-chloro-2-[[2-(4-fluoropyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842788
3-(5-methylsulfonylthiophen-2-yl)-1,5-bis(trifluoromethyl)pyrazole
CID 142000739
1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole
CID 171500959
1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
CID 21349801
2-chloro-5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrazine
CID 172596791
5-[1-[4-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]thiophene-2-sulfonic acid
CID 141185354
1-benzyl-2-methyl-4-(trifluoromethyl)imidazole
CID 101096639
4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
CID 59532168
methyl 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]thiophene-2-carboxylate
CID 177269219

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 176842784) is 5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)s1.
What is the InChIKey of 5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is OEICEKMAQQODTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4O2S2/c1-26(23,24)12-3-2-9(25-12)13-21-10(14(16,17)18)6-22(13)7-11-19-4-8(15)5-20-11/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 422.84 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 176842784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).