2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole

C5H7BrF2N2 — CID 141167081

IUPAC2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole
SMILESCN1CC(C(F)F)N=C1Br
InChIInChI=1S/C5H7BrF2N2/c1-10-2-3(4(7)8)9-5(10)6/h3-4H,2H2,1H3
InChIKeyBZSOTTSAXIPLIS-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.32
Rot. Bonds1

About 2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole

2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole (PubChem CID 141167081) has the molecular formula C5H7BrF2N2 and a molecular weight of 213.03 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole
PubChem CID141167081
Molecular FormulaC5H7BrF2N2
Molecular Weight213.03 g/mol
Exact Mass211.98
IUPAC Name2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole
SMILESCN1CC(C(F)F)N=C1Br
InChIInChI=1S/C5H7BrF2N2/c1-10-2-3(4(7)8)9-5(10)6/h3-4H,2H2,1H3
InChIKeyBZSOTTSAXIPLIS-UHFFFAOYSA-N
XLogP1.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-(trifluoromethyl)-4,5-dihydroimidazole
CID 123358722
1-Methyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 123407947
2-Bromo-1-(difluoromethyl)-4,5-dihydroimidazole
CID 141167079
1-(Difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
CID 173378772
4-Ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
CID 173378802
1-(Difluoromethyl)-4-ethyl-4,5-dihydroimidazole
CID 173378807
4-(Difluoromethyl)-1-methyl-4,5-dihydroimidazole
CID 173378835
1-(2,2-Difluoroethyl)-4-ethyl-4,5-dihydroimidazole
CID 173378900
4-(Fluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole
CID 173378981
1-(2,2-Difluoroethyl)-4-methyl-4,5-dihydroimidazole
CID 173378984
1-(Fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole
CID 173378986
4-Ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole
CID 173378998

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole (CID 141167081) is 2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole is CN1CC(C(F)F)N=C1Br.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole?
The InChIKey is BZSOTTSAXIPLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrF2N2/c1-10-2-3(4(7)8)9-5(10)6/h3-4H,2H2,1H3.
What are the key properties of 2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole?
2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole has a molecular weight of 213.03 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 141167081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).