2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole

C15H16BrFN2O2 — CID 82562364

IUPAC2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole
SMILESCC1(C)OCC(Cn2ccnc2-c2cc(F)cc(Br)c2)O1
InChIInChI=1S/C15H16BrFN2O2/c1-15(2)20-9-13(21-15)8-19-4-3-18-14(19)10-5-11(16)7-12(17)6-10/h3-7,13H,8-9H2,1-2H3
InChIKeyDKSBGGZZPDPJEX-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.60
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole

2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole (PubChem CID 82562364) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole
PubChem CID82562364
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole
SMILESCC1(C)OCC(Cn2ccnc2-c2cc(F)cc(Br)c2)O1
InChIInChI=1S/C15H16BrFN2O2/c1-15(2)20-9-13(21-15)8-19-4-3-18-14(19)10-5-11(16)7-12(17)6-10/h3-7,13H,8-9H2,1-2H3
InChIKeyDKSBGGZZPDPJEX-UHFFFAOYSA-N
XLogP3.60
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine
CID 82559780
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline
CID 82562114
2-[[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560852
2-(3-bromophenyl)-1-(oxolan-2-ylmethyl)imidazole
CID 82562308
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]aniline
CID 79700240
5-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-2-fluoro-3-methylpyridine
CID 167892540
1-(oxiran-2-ylmethyl)-2-phenylimidazole
CID 61071224
4-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 121483527
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-ethylpyrazin-2-one
CID 113451552
6-bromo-10-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-fluoroacridin-9-one
CID 139804678
1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 712759
1-(4-bromo-2,6-dimethylphenyl)-3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]urea
CID 3670010

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole (CID 82562364) is 2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole is CC1(C)OCC(Cn2ccnc2-c2cc(F)cc(Br)c2)O1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole?
The InChIKey is DKSBGGZZPDPJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-15(2)20-9-13(21-15)8-19-4-3-18-14(19)10-5-11(16)7-12(17)6-10/h3-7,13H,8-9H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole?
2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole has a molecular weight of 355.21 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]imidazole is sourced from PubChem (CID 82562364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).