2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine

C16H15BrN4 — CID 103386873

IUPAC2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine
SMILESCc1cc(C)cc(-c2cnc(-c3ccnc(Br)c3N)[nH]2)c1
InChIInChI=1S/C16H15BrN4/c1-9-5-10(2)7-11(6-9)13-8-20-16(21-13)12-3-4-19-15(17)14(12)18/h3-8H,18H2,1-2H3,(H,20,21)
InChIKeyUUVPDMGRXSLUOV-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.10
Rot. Bonds2

About 2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine

2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine (PubChem CID 103386873) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine
PubChem CID103386873
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine
SMILESCc1cc(C)cc(-c2cnc(-c3ccnc(Br)c3N)[nH]2)c1
InChIInChI=1S/C16H15BrN4/c1-9-5-10(2)7-11(6-9)13-8-20-16(21-13)12-3-4-19-15(17)14(12)18/h3-8H,18H2,1-2H3,(H,20,21)
InChIKeyUUVPDMGRXSLUOV-UHFFFAOYSA-N
XLogP4.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-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

5-bromo-2-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]aniline
CID 103386879
3-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-4-amine
CID 102970594
4-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]aniline
CID 116877778
5-(3-methylphenyl)-1H-imidazol-2-amine
CID 66202111
5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 20561075
5-bromo-2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386916
6-(3,5-dimethylphenyl)-1H-pyrimidine-2-thione
CID 106513682
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]pyridin-4-amine
CID 102970530
[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine
CID 82506278
2-bromo-5-(3-methylphenyl)-1H-imidazole
CID 105498727
4-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]pyridin-2-amine
CID 102970517
5-(2-bromo-3-methyl-4-pyridinyl)pyridin-2-amine
CID 174798343

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine?
The IUPAC name of 2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine (CID 103386873) is 2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine.
What is the SMILES notation for 2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine?
The canonical SMILES for 2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine is Cc1cc(C)cc(-c2cnc(-c3ccnc(Br)c3N)[nH]2)c1.
What is the InChIKey of 2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine?
The InChIKey is UUVPDMGRXSLUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-9-5-10(2)7-11(6-9)13-8-20-16(21-13)12-3-4-19-15(17)14(12)18/h3-8H,18H2,1-2H3,(H,20,21).
What are the key properties of 2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine?
2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine has a molecular weight of 343.23 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-3-amine is sourced from PubChem (CID 103386873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).