N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine

C14H17BrClN3 — CID 106580673

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cc(Br)c(Nc2nccn2CC(C)C)cc1Cl
InChIInChI=1S/C14H17BrClN3/c1-9(2)8-19-5-4-17-14(19)18-13-7-12(16)10(3)6-11(13)15/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyGGIGIDUYOFNPCE-UHFFFAOYSA-N
MW342.67 g/mol
LogP5.01
Rot. Bonds4

About N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine

N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106580673) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106580673
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cc(Br)c(Nc2nccn2CC(C)C)cc1Cl
InChIInChI=1S/C14H17BrClN3/c1-9(2)8-19-5-4-17-14(19)18-13-7-12(16)10(3)6-11(13)15/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyGGIGIDUYOFNPCE-UHFFFAOYSA-N
XLogP5.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)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

Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106580696
N-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106556363
N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106568967
N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106580603
2-bromo-5-chloro-4-methyl-N-(3-methylbutyl)aniline
CID 104722862
5-methoxy-1-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]pyrazol-3-amine
CID 114256725
N-(2-chloro-6-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106582336
N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine
CID 106555659
N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106580684
N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556110
N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106571125
2-bromo-1-(2-methylpropyl)imidazole
CID 58719811

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine (CID 106580673) is N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine is Cc1cc(Br)c(Nc2nccn2CC(C)C)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is GGIGIDUYOFNPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-9(2)8-19-5-4-17-14(19)18-13-7-12(16)10(3)6-11(13)15/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine?
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 342.67 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106580673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).