3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide

C12H21BrF3N3 — CID 23343249

IUPAC3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide
SMILESBr.CC(C)c1nc(C(C)C)c(CC(N)C(F)(F)F)[nH]1
InChIInChI=1S/C12H20F3N3.BrH/c1-6(2)10-8(5-9(16)12(13,14)15)17-11(18-10)7(3)4;/h6-7,9H,5,16H2,1-4H3,(H,17,18);1H
InChIKeySRGHTFZLFUJHFW-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.67
Rot. Bonds4

About 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide

3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide (PubChem CID 23343249) has the molecular formula C12H21BrF3N3 and a molecular weight of 344.22 g/mol. Its IUPAC name is 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide.

Molecular Properties

Compound Name3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide
PubChem CID23343249
Molecular FormulaC12H21BrF3N3
Molecular Weight344.22 g/mol
Exact Mass343.09
IUPAC Name3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide
SMILESBr.CC(C)c1nc(C(C)C)c(CC(N)C(F)(F)F)[nH]1
InChIInChI=1S/C12H20F3N3.BrH/c1-6(2)10-8(5-9(16)12(13,14)15)17-11(18-10)7(3)4;/h6-7,9H,5,16H2,1-4H3,(H,17,18);1H
InChIKeySRGHTFZLFUJHFW-UHFFFAOYSA-N
XLogP3.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide?
The IUPAC name of 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide (CID 23343249) is 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide.
What is the SMILES notation for 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide?
The canonical SMILES for 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide is Br.CC(C)c1nc(C(C)C)c(CC(N)C(F)(F)F)[nH]1.
What is the InChIKey of 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide?
The InChIKey is SRGHTFZLFUJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3.BrH/c1-6(2)10-8(5-9(16)12(13,14)15)17-11(18-10)7(3)4;/h6-7,9H,5,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide?
3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide has a molecular weight of 344.22 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine;hydrobromide is sourced from PubChem (CID 23343249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).