1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride

C11H10ClF3N2S — CID 22155978

IUPAC1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2S.ClH/c1-16-7-6-15-10(16)17-9-4-2-8(3-5-9)11(12,13)14;/h2-7H,1H3;1H
InChIKeySIAOHXGIROLGSM-UHFFFAOYSA-N
MW294.73 g/mol
LogP4.01
Rot. Bonds2

About 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride

1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride (PubChem CID 22155978) has the molecular formula C11H10ClF3N2S and a molecular weight of 294.73 g/mol. Its IUPAC name is 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride
PubChem CID22155978
Molecular FormulaC11H10ClF3N2S
Molecular Weight294.73 g/mol
Exact Mass294.02
IUPAC Name1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2S.ClH/c1-16-7-6-15-10(16)17-9-4-2-8(3-5-9)11(12,13)14;/h2-7H,1H3;1H
InChIKeySIAOHXGIROLGSM-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride?
The IUPAC name of 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride (CID 22155978) is 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride.
What is the SMILES notation for 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride?
The canonical SMILES for 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride is Cl.Cn1ccnc1Sc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride?
The InChIKey is SIAOHXGIROLGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S.ClH/c1-16-7-6-15-10(16)17-9-4-2-8(3-5-9)11(12,13)14;/h2-7H,1H3;1H.
What are the key properties of 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride?
1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride has a molecular weight of 294.73 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole;hydrochloride is sourced from PubChem (CID 22155978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).