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

C16H22ClN3 — CID 62219697

IUPAC2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(C(C)(C)C)nc(-c2ccccc2Cl)c1N
InChIInChI=1S/C16H22ClN3/c1-10(2)20-14(18)13(19-15(20)16(3,4)5)11-8-6-7-9-12(11)17/h6-10H,18H2,1-5H3
InChIKeyDGZCWYVLERNIIJ-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.66
Rot. Bonds2

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

2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 62219697) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine
PubChem CID62219697
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(C(C)(C)C)nc(-c2ccccc2Cl)c1N
InChIInChI=1S/C16H22ClN3/c1-10(2)20-14(18)13(19-15(20)16(3,4)5)11-8-6-7-9-12(11)17/h6-10H,18H2,1-5H3
InChIKeyDGZCWYVLERNIIJ-UHFFFAOYSA-N
XLogP4.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-5-(2-chlorophenyl)-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-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine (CID 62219697) is 2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine is CC(C)n1c(C(C)(C)C)nc(-c2ccccc2Cl)c1N.
What is the InChIKey of 2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is DGZCWYVLERNIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-10(2)20-14(18)13(19-15(20)16(3,4)5)11-8-6-7-9-12(11)17/h6-10H,18H2,1-5H3.
What are the key properties of 2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine?
2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 291.83 g/mol, XLogP of 4.66, 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-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62219697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).