5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole

C14H15F3N2 — CID 19430211

IUPAC5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCc1cnc(-c2ccc(C(F)(F)F)cc2)n1C(C)C
InChIInChI=1S/C14H15F3N2/c1-9(2)19-10(3)8-18-13(19)11-4-6-12(7-5-11)14(15,16)17/h4-9H,1-3H3
InChIKeyDYZHFZQPLIZZPS-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.46
Rot. Bonds2

About 5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole

5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 19430211) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID19430211
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole
SMILESCc1cnc(-c2ccc(C(F)(F)F)cc2)n1C(C)C
InChIInChI=1S/C14H15F3N2/c1-9(2)19-10(3)8-18-13(19)11-4-6-12(7-5-11)14(15,16)17/h4-9H,1-3H3
InChIKeyDYZHFZQPLIZZPS-UHFFFAOYSA-N
XLogP4.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole (CID 19430211) is 5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole is Cc1cnc(-c2ccc(C(F)(F)F)cc2)n1C(C)C.
What is the InChIKey of 5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is DYZHFZQPLIZZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-9(2)19-10(3)8-18-13(19)11-4-6-12(7-5-11)14(15,16)17/h4-9H,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole?
5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 268.28 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 19430211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).