5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine

C13H16ClN3 — CID 91606103

IUPAC5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine
SMILESCc1c(-c2cnc(N)[nH]2)cc(Cl)cc1C(C)C
InChIInChI=1S/C13H16ClN3/c1-7(2)10-4-9(14)5-11(8(10)3)12-6-16-13(15)17-12/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyGWJDMLRDPYVELX-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.74
Rot. Bonds2

About 5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine

5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine (PubChem CID 91606103) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine
PubChem CID91606103
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine
SMILESCc1c(-c2cnc(N)[nH]2)cc(Cl)cc1C(C)C
InChIInChI=1S/C13H16ClN3/c1-7(2)10-4-9(14)5-11(8(10)3)12-6-16-13(15)17-12/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyGWJDMLRDPYVELX-UHFFFAOYSA-N
XLogP3.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-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 5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine?
The IUPAC name of 5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine (CID 91606103) is 5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine is Cc1c(-c2cnc(N)[nH]2)cc(Cl)cc1C(C)C.
What is the InChIKey of 5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine?
The InChIKey is GWJDMLRDPYVELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-7(2)10-4-9(14)5-11(8(10)3)12-6-16-13(15)17-12/h4-7H,1-3H3,(H3,15,16,17).
What are the key properties of 5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine?
5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine has a molecular weight of 249.75 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methyl-3-propan-2-ylphenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 91606103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).