2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole

C14H13BrF2N2O — CID 170736964

IUPAC2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole
SMILESFC(F)OC1CC(c2cccc(Br)c2)(c2ncc[nH]2)C1
InChIInChI=1S/C14H13BrF2N2O/c15-10-3-1-2-9(6-10)14(12-18-4-5-19-12)7-11(8-14)20-13(16)17/h1-6,11,13H,7-8H2,(H,18,19)
InChIKeyHWTAJGJYDRCRMW-UHFFFAOYSA-N
MW343.17 g/mol
LogP3.86
Rot. Bonds4

About 2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole

2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole (PubChem CID 170736964) has the molecular formula C14H13BrF2N2O and a molecular weight of 343.17 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole
PubChem CID170736964
Molecular FormulaC14H13BrF2N2O
Molecular Weight343.17 g/mol
Exact Mass342.02
IUPAC Name2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole
SMILESFC(F)OC1CC(c2cccc(Br)c2)(c2ncc[nH]2)C1
InChIInChI=1S/C14H13BrF2N2O/c15-10-3-1-2-9(6-10)14(12-18-4-5-19-12)7-11(8-14)20-13(16)17/h1-6,11,13H,7-8H2,(H,18,19)
InChIKeyHWTAJGJYDRCRMW-UHFFFAOYSA-N
XLogP3.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(difluoromethoxy)-N-methylcyclobutane-1-carboxamide
CID 130363609
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide
CID 138034170
1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
CID 115047487
4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane
CID 142728347
1-(3-bromophenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61080867
3-[1-(3-bromophenyl)-3-methylcyclobutyl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 155749465
2-[1-(3-bromophenyl)cyclopropyl]pyrrolidine
CID 83913426
1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene
CID 97296884
1-bromo-3-(1,3-dimethylcyclobutyl)benzene
CID 169179342
2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
CID 115050602
2-[1-(4-methylphenyl)cyclobutyl]-1H-imidazole
CID 59019746
1,3-bis(3-bromophenyl)adamantane
CID 13449972

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole?
The IUPAC name of 2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole (CID 170736964) is 2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole.
What is the SMILES notation for 2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole?
The canonical SMILES for 2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole is FC(F)OC1CC(c2cccc(Br)c2)(c2ncc[nH]2)C1.
What is the InChIKey of 2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole?
The InChIKey is HWTAJGJYDRCRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O/c15-10-3-1-2-9(6-10)14(12-18-4-5-19-12)7-11(8-14)20-13(16)17/h1-6,11,13H,7-8H2,(H,18,19).
What are the key properties of 2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole?
2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole has a molecular weight of 343.17 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole is sourced from PubChem (CID 170736964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).