1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole

C11H18Br2N4 — CID 175095291

IUPAC1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole
SMILESCC(N1C=CN(C)C1)C(Br)(Br)N1C=CN(C)C1
InChIInChI=1S/C11H18Br2N4/c1-10(16-6-4-14(2)8-16)11(12,13)17-7-5-15(3)9-17/h4-7,10H,8-9H2,1-3H3
InChIKeyRAWRYXYXJXZUPI-UHFFFAOYSA-N
MW366.10 g/mol
LogP2.17
Rot. Bonds3

About 1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole

1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole (PubChem CID 175095291) has the molecular formula C11H18Br2N4 and a molecular weight of 366.10 g/mol. Its IUPAC name is 1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole
PubChem CID175095291
Molecular FormulaC11H18Br2N4
Molecular Weight366.10 g/mol
Exact Mass363.99
IUPAC Name1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole
SMILESCC(N1C=CN(C)C1)C(Br)(Br)N1C=CN(C)C1
InChIInChI=1S/C11H18Br2N4/c1-10(16-6-4-14(2)8-16)11(12,13)17-7-5-15(3)9-17/h4-7,10H,8-9H2,1-3H3
InChIKeyRAWRYXYXJXZUPI-UHFFFAOYSA-N
XLogP2.17
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole 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 1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole?
The IUPAC name of 1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole (CID 175095291) is 1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole.
What is the SMILES notation for 1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole?
The canonical SMILES for 1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole is CC(N1C=CN(C)C1)C(Br)(Br)N1C=CN(C)C1.
What is the InChIKey of 1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole?
The InChIKey is RAWRYXYXJXZUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Br2N4/c1-10(16-6-4-14(2)8-16)11(12,13)17-7-5-15(3)9-17/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole?
1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole has a molecular weight of 366.10 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-dibromo-1-(3-methyl-2H-imidazol-1-yl)propan-2-yl]-3-methyl-2H-imidazole is sourced from PubChem (CID 175095291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).