6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine

C12H15BrN4 — CID 24945909

IUPAC6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(Cc1cnc[nH]1)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN4/c1-9(2)17(7-10-6-14-8-15-10)12-5-3-4-11(13)16-12/h3-6,8-9H,7H2,1-2H3,(H,14,15)
InChIKeyQQYLVWRFBYMPAO-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.98
Rot. Bonds4

About 6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine

6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 24945909) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID24945909
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(Cc1cnc[nH]1)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN4/c1-9(2)17(7-10-6-14-8-15-10)12-5-3-4-11(13)16-12/h3-6,8-9H,7H2,1-2H3,(H,14,15)
InChIKeyQQYLVWRFBYMPAO-UHFFFAOYSA-N
XLogP2.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-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

3-(1H-imidazol-5-yl)pyridine
CID 3040177
6-Bromo-4-azabenzimidazole
CID 911578
2-(1H-imidazol-2-yl)pyridine
CID 589313
3H-Imidazo(4,5-b)pyridine, 6-bromo-5-methyl-
CID 5310884
2-(3-Bromophenyl)histamine
CID 23786499
2-((1H-imidazol-4-yl)methyl)pyridine
CID 9877454
6-bromo-2-methyl-1H-imidazo(4,5-b)pyridine
CID 1958572
6-Bromo-3-methylimidazo(1,2-a)pyridine
CID 23537418
(1H-Imidazo(4,5-B)Pyridin-2-Yl)Methanamine
CID 17747911
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(5-bromo-2-pyridyl)thiourea
CID 3001143
2-[2-(3-bromophenyl)-1H-imidazol-5-yl]-N-methylethanamine
CID 44320686
2-[2-(3-bromophenyl)-1H-imidazol-5-yl]-N,N-dimethylethanamine
CID 44320707

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine (CID 24945909) is 6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine is CC(C)N(Cc1cnc[nH]1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is QQYLVWRFBYMPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-9(2)17(7-10-6-14-8-15-10)12-5-3-4-11(13)16-12/h3-6,8-9H,7H2,1-2H3,(H,14,15).
What are the key properties of 6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine?
6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 24945909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).