2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine

C16H21ClFN3 — CID 63470005

IUPAC2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(C(C)(C)C)nc(-c2ccc(Cl)c(F)c2)c1N
InChIInChI=1S/C16H21ClFN3/c1-9(2)21-14(19)13(20-15(21)16(3,4)5)10-6-7-11(17)12(18)8-10/h6-9H,19H2,1-5H3
InChIKeyBQCWBOUQGHTNSF-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.80
Rot. Bonds2

About 2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine

2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 63470005) has the molecular formula C16H21ClFN3 and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
PubChem CID63470005
Molecular FormulaC16H21ClFN3
Molecular Weight309.82 g/mol
Exact Mass309.14
IUPAC Name2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(C(C)(C)C)nc(-c2ccc(Cl)c(F)c2)c1N
InChIInChI=1S/C16H21ClFN3/c1-9(2)21-14(19)13(20-15(21)16(3,4)5)10-6-7-11(17)12(18)8-10/h6-9H,19H2,1-5H3
InChIKeyBQCWBOUQGHTNSF-UHFFFAOYSA-N
XLogP4.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine 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 2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine (CID 63470005) is 2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine is CC(C)n1c(C(C)(C)C)nc(-c2ccc(Cl)c(F)c2)c1N.
What is the InChIKey of 2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is BQCWBOUQGHTNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3/c1-9(2)21-14(19)13(20-15(21)16(3,4)5)10-6-7-11(17)12(18)8-10/h6-9H,19H2,1-5H3.
What are the key properties of 2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 309.82 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 63470005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).