1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone

C24H28N2O — CID 177240665

IUPAC1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone
SMILESCCCCc1cc(-c2cn(-c3cccc(C(C)C)c3)cn2)ccc1C(C)=O
InChIInChI=1S/C24H28N2O/c1-5-6-8-20-13-21(11-12-23(20)18(4)27)24-15-26(16-25-24)22-10-7-9-19(14-22)17(2)3/h7,9-17H,5-6,8H2,1-4H3
InChIKeyBWIZRKIFAUYWRU-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.21
Rot. Bonds7

About 1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone

1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone (PubChem CID 177240665) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone
PubChem CID177240665
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone
SMILESCCCCc1cc(-c2cn(-c3cccc(C(C)C)c3)cn2)ccc1C(C)=O
InChIInChI=1S/C24H28N2O/c1-5-6-8-20-13-21(11-12-23(20)18(4)27)24-15-26(16-25-24)22-10-7-9-19(14-22)17(2)3/h7,9-17H,5-6,8H2,1-4H3
InChIKeyBWIZRKIFAUYWRU-UHFFFAOYSA-N
XLogP6.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone?
The IUPAC name of 1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone (CID 177240665) is 1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone is CCCCc1cc(-c2cn(-c3cccc(C(C)C)c3)cn2)ccc1C(C)=O.
What is the InChIKey of 1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone?
The InChIKey is BWIZRKIFAUYWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-5-6-8-20-13-21(11-12-23(20)18(4)27)24-15-26(16-25-24)22-10-7-9-19(14-22)17(2)3/h7,9-17H,5-6,8H2,1-4H3.
What are the key properties of 1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone?
1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone has a molecular weight of 360.50 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-butyl-4-[1-(3-propan-2-ylphenyl)imidazol-4-yl]phenyl]ethanone is sourced from PubChem (CID 177240665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).