4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one

C27H28N4O2 — CID 123956504

IUPAC4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one
SMILESCC(=O)CCc1ncc(-c2ccc(-c3ccc(-c4cnc(C(C)CC(C)=O)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C27H28N4O2/c1-17(14-19(3)33)27-29-16-25(31-27)23-11-7-21(8-12-23)20-5-9-22(10-6-20)24-15-28-26(30-24)13-4-18(2)32/h5-12,15-17H,4,13-14H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyOHTPUQMEDZXEJF-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.74
Rot. Bonds9

About 4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one

4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one (PubChem CID 123956504) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one.

Molecular Properties

Compound Name4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one
PubChem CID123956504
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one
SMILESCC(=O)CCc1ncc(-c2ccc(-c3ccc(-c4cnc(C(C)CC(C)=O)[nH]4)cc3)cc2)[nH]1
InChIInChI=1S/C27H28N4O2/c1-17(14-19(3)33)27-29-16-25(31-27)23-11-7-21(8-12-23)20-5-9-22(10-6-20)24-15-28-26(30-24)13-4-18(2)32/h5-12,15-17H,4,13-14H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyOHTPUQMEDZXEJF-UHFFFAOYSA-N
XLogP5.74
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one with MolForge

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Related Compounds

4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880882
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878799
5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 116880898
3-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878821
4-[5-(2-bromophenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880935
3-methyl-N-[(1S)-2-methyl-1-[5-[4-[4-[2-[2-methyl-1-(3-methylbutanoylamino)propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]propyl]butanamide
CID 130279050
tert-butyl 4-methyl-3-[5-[4-[4-[2-[4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentanoate
CID 123634840
4-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-2-one
CID 116880866
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424
methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate
CID 143848514
3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1H-imidazol-2-yl]propanoic acid
CID 19376756
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one?
The IUPAC name of 4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one (CID 123956504) is 4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one.
What is the SMILES notation for 4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one?
The canonical SMILES for 4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one is CC(=O)CCc1ncc(-c2ccc(-c3ccc(-c4cnc(C(C)CC(C)=O)[nH]4)cc3)cc2)[nH]1.
What is the InChIKey of 4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one?
The InChIKey is OHTPUQMEDZXEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-17(14-19(3)33)27-29-16-25(31-27)23-11-7-21(8-12-23)20-5-9-22(10-6-20)24-15-28-26(30-24)13-4-18(2)32/h5-12,15-17H,4,13-14H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one?
4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one has a molecular weight of 440.55 g/mol, XLogP of 5.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one is sourced from PubChem (CID 123956504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).