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'}

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Related Compounds

1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate
CID 175390691
1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride
CID 175693926
1-methyl-3-(1,2,2-trifluoroethyl)-2H-imidazole
CID 175549515
1-(2-fluoro-1-methoxyethyl)-3-methyl-2H-imidazole
CID 174572332
1-[1,20-diiodo-20-(3-methyl-2H-imidazol-1-yl)icosyl]-3-methyl-2H-imidazole
CID 67442015
1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide
CID 171376624
bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate
CID 174589905
1-methyl-3-octadecan-8-yl-2H-imidazole
CID 174675256
methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate
CID 123407176
trimethyl-[2-(3-methyl-2H-imidazol-1-yl)ethynyl]silane
CID 68608712
sulfo 2-(3-methyl-2H-imidazol-1-yl)propanoate
CID 174907943
1-methyl-3-[3-(3-propan-2-yl-2H-imidazol-1-yl)butyl]-2H-imidazole
CID 126581115

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).