1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one

C15H15BrClFN2O — CID 149470489

IUPAC1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one
SMILESCC(C)CC(=O)Cn1cc(Br)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15BrClFN2O/c1-9(2)5-11(21)7-20-8-14(16)19-15(20)10-3-4-13(18)12(17)6-10/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyZBGMIRNVMOCAHQ-UHFFFAOYSA-N
MW373.65 g/mol
LogP4.72
Rot. Bonds5

About 1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one

1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one (PubChem CID 149470489) has the molecular formula C15H15BrClFN2O and a molecular weight of 373.65 g/mol. Its IUPAC name is 1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one.

Molecular Properties

Compound Name1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one
PubChem CID149470489
Molecular FormulaC15H15BrClFN2O
Molecular Weight373.65 g/mol
Exact Mass372.00
IUPAC Name1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one
SMILESCC(C)CC(=O)Cn1cc(Br)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15BrClFN2O/c1-9(2)5-11(21)7-20-8-14(16)19-15(20)10-3-4-13(18)12(17)6-10/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyZBGMIRNVMOCAHQ-UHFFFAOYSA-N
XLogP4.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.65
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-4-fluorophenyl)-5-hydroxybenzimidazol-1-yl]-4-methylpentan-2-one;1-[2-(3-chloro-4-fluorophenyl)-6-hydroxybenzimidazol-1-yl]-4-methylpentan-2-one
CID 161237180
1-[2-[4-[2-(4-fluoro-3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)imidazol-4-yl]phenyl]ethyl]azetidine-3-carbonitrile
CID 158540091
5-(3-chloro-4-fluorophenyl)-4-(4-methyl-2-oxopentyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,2,4-triazol-3-one
CID 162139024
1-[2-(4-fluoro-3-methoxyphenyl)-4-[4-[2-(1,4-oxazepan-4-yl)ethyl]phenyl]imidazol-1-yl]-4-methylpentan-2-one
CID 159971276
5-(3-chloro-4-fluorophenyl)-4-(4-methyl-2-oxopentyl)-2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-3-one
CID 161345670
2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 90370316
5-(3-chloro-4-fluorophenyl)-2-[5-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-2-pyridinyl]-4-(4-methyl-2-oxopentyl)-1,2,4-triazol-3-one
CID 157394979
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 62532949
ethyl 5-bromo-4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one?
The IUPAC name of 1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one (CID 149470489) is 1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one.
What is the SMILES notation for 1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one?
The canonical SMILES for 1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one is CC(C)CC(=O)Cn1cc(Br)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one?
The InChIKey is ZBGMIRNVMOCAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2O/c1-9(2)5-11(21)7-20-8-14(16)19-15(20)10-3-4-13(18)12(17)6-10/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one?
1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one has a molecular weight of 373.65 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(3-chloro-4-fluorophenyl)imidazol-1-yl]-4-methylpentan-2-one is sourced from PubChem (CID 149470489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).