5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

C15H19BrClN3O — CID 82776453

IUPAC5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(c2ccc(Br)cc2Cl)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C15H19BrClN3O/c1-15(12-5-4-10(16)7-13(12)17)9-19-14(18)20(15)8-11-3-2-6-21-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,18,19)
InChIKeyIEHZZOXESTYSDZ-UHFFFAOYSA-N
MW372.69 g/mol
LogP3.13
Rot. Bonds3

About 5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 82776453) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID82776453
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC Name5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(c2ccc(Br)cc2Cl)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C15H19BrClN3O/c1-15(12-5-4-10(16)7-13(12)17)9-19-14(18)20(15)8-11-3-2-6-21-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,18,19)
InChIKeyIEHZZOXESTYSDZ-UHFFFAOYSA-N
XLogP3.13
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-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-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (CID 82776453) is 5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is CC1(c2ccc(Br)cc2Cl)CN=C(N)N1CC1CCCO1.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is IEHZZOXESTYSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O/c1-15(12-5-4-10(16)7-13(12)17)9-19-14(18)20(15)8-11-3-2-6-21-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,18,19).
What are the key properties of 5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine has a molecular weight of 372.69 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 82776453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).