5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole

C9H11F3N2 — CID 141201634

IUPAC5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole
SMILESCc1[nH]cnc1CC1(C(F)(F)F)CC1
InChIInChI=1S/C9H11F3N2/c1-6-7(14-5-13-6)4-8(2-3-8)9(10,11)12/h5H,2-4H2,1H3,(H,13,14)
InChIKeyMUOJUFJJTZGKPR-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.60
Rot. Bonds2

About 5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole

5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole (PubChem CID 141201634) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole
PubChem CID141201634
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole
SMILESCc1[nH]cnc1CC1(C(F)(F)F)CC1
InChIInChI=1S/C9H11F3N2/c1-6-7(14-5-13-6)4-8(2-3-8)9(10,11)12/h5H,2-4H2,1H3,(H,13,14)
InChIKeyMUOJUFJJTZGKPR-UHFFFAOYSA-N
XLogP2.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole?
The IUPAC name of 5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole (CID 141201634) is 5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole.
What is the SMILES notation for 5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole?
The canonical SMILES for 5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole is Cc1[nH]cnc1CC1(C(F)(F)F)CC1.
What is the InChIKey of 5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole?
The InChIKey is MUOJUFJJTZGKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-6-7(14-5-13-6)4-8(2-3-8)9(10,11)12/h5H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole?
5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole has a molecular weight of 204.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazole is sourced from PubChem (CID 141201634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).