1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one

C16H18Br2N2O2 — CID 159499235

IUPAC1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one
SMILESCOc1cccc(-c2nc(Br)c(Br)n2CC(=O)CC(C)C)c1
InChIInChI=1S/C16H18Br2N2O2/c1-10(2)7-12(21)9-20-15(18)14(17)19-16(20)11-5-4-6-13(8-11)22-3/h4-6,8,10H,7,9H2,1-3H3
InChIKeyLZEDDLNGHXRZTQ-UHFFFAOYSA-N
MW430.14 g/mol
LogP4.70
Rot. Bonds6

About 1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one

1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one (PubChem CID 159499235) has the molecular formula C16H18Br2N2O2 and a molecular weight of 430.14 g/mol. Its IUPAC name is 1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one.

Molecular Properties

Compound Name1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one
PubChem CID159499235
Molecular FormulaC16H18Br2N2O2
Molecular Weight430.14 g/mol
Exact Mass427.97
IUPAC Name1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one
SMILESCOc1cccc(-c2nc(Br)c(Br)n2CC(=O)CC(C)C)c1
InChIInChI=1S/C16H18Br2N2O2/c1-10(2)7-12(21)9-20-15(18)14(17)19-16(20)11-5-4-6-13(8-11)22-3/h4-6,8,10H,7,9H2,1-3H3
InChIKeyLZEDDLNGHXRZTQ-UHFFFAOYSA-N
XLogP4.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.14
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-(3-methoxyphenyl)imidazol-1-yl]propan-2-one
CID 90378714
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 17001797
6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 159042765
3-[5-(3-methoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66045312
1-[2-(3-methoxyphenyl)-4-[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenyl]imidazol-1-yl]-4-methylpentan-2-one
CID 158557400
2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine
CID 82067936
1-bromo-3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-6-ol
CID 117251332
N-[4-[5-(3-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]-3-methylbutanamide
CID 42809971
N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793
1-[5-(3-methoxyphenyl)-3-[4-[2-(3-methylmorpholin-4-yl)ethyl]phenyl]-1,2,4-triazol-1-yl]-4-methylpentan-2-one
CID 159366764
2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid
CID 91421360
2-[6-hydroxy-7-methoxy-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525567

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one?
The IUPAC name of 1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one (CID 159499235) is 1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one.
What is the SMILES notation for 1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one?
The canonical SMILES for 1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one is COc1cccc(-c2nc(Br)c(Br)n2CC(=O)CC(C)C)c1.
What is the InChIKey of 1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one?
The InChIKey is LZEDDLNGHXRZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2O2/c1-10(2)7-12(21)9-20-15(18)14(17)19-16(20)11-5-4-6-13(8-11)22-3/h4-6,8,10H,7,9H2,1-3H3.
What are the key properties of 1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one?
1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one has a molecular weight of 430.14 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one is sourced from PubChem (CID 159499235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).