N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine

C12H14BrN3O2 — CID 163513532

IUPACN-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(NBr)c2)cc(C)c1OC
InChIInChI=1S/C12H14BrN3O2/c1-8-4-9(5-10(17-2)12(8)18-3)16-6-11(15-13)14-7-16/h4-7,15H,1-3H3
InChIKeyDETOYXAQTDCOQT-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.92
Rot. Bonds4

About N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine

N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine (PubChem CID 163513532) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine.

Molecular Properties

Compound NameN-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine
PubChem CID163513532
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC NameN-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine
SMILESCOc1cc(-n2cnc(NBr)c2)cc(C)c1OC
InChIInChI=1S/C12H14BrN3O2/c1-8-4-9(5-10(17-2)12(8)18-3)16-6-11(15-13)14-7-16/h4-7,15H,1-3H3
InChIKeyDETOYXAQTDCOQT-UHFFFAOYSA-N
XLogP2.92
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-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

Related Compounds

4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
CID 147782659
N-[1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 163451204
3-chloroisoquinoline;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]isoquinolin-3-amine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 167607094
1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine
CID 163422541
4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 46390835
2-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 170775798
2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
CID 142497948
6-cyclobutyl-1-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775912
2-chloro-7-propan-2-yloxy-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-5-amine
CID 166003480
1-ethyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775935
4-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 137363237
1-phenyl-6-propan-2-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 170775795

Frequently Asked Questions

What is the IUPAC name of N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine?
The IUPAC name of N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine (CID 163513532) is N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine.
What is the SMILES notation for N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine?
The canonical SMILES for N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine is COc1cc(-n2cnc(NBr)c2)cc(C)c1OC.
What is the InChIKey of N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine?
The InChIKey is DETOYXAQTDCOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-8-4-9(5-10(17-2)12(8)18-3)16-6-11(15-13)14-7-16/h4-7,15H,1-3H3.
What are the key properties of N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine?
N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine has a molecular weight of 312.17 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-amine is sourced from PubChem (CID 163513532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).