1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one

C22H24N2O — CID 161360346

IUPAC1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one
SMILESCCCCc1ccc(CC(=O)Cc2cncn2-c2ccccc2)cc1
InChIInChI=1S/C22H24N2O/c1-2-3-7-18-10-12-19(13-11-18)14-22(25)15-21-16-23-17-24(21)20-8-5-4-6-9-20/h4-6,8-13,16-17H,2-3,7,14-15H2,1H3
InChIKeyVPBXXASPOOXEPO-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.57
Rot. Bonds8

About 1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one

1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one (PubChem CID 161360346) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one
PubChem CID161360346
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one
SMILESCCCCc1ccc(CC(=O)Cc2cncn2-c2ccccc2)cc1
InChIInChI=1S/C22H24N2O/c1-2-3-7-18-10-12-19(13-11-18)14-22(25)15-21-16-23-17-24(21)20-8-5-4-6-9-20/h4-6,8-13,16-17H,2-3,7,14-15H2,1H3
InChIKeyVPBXXASPOOXEPO-UHFFFAOYSA-N
XLogP4.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
CID 104941487
butylbenzene;carbonic acid
CID 158278492
1-(4-butylphenyl)-3-(3-methylphenyl)propan-2-one
CID 174915700
butylbenzene;hydroxylamine
CID 175142403
1-benzyl-5-butylimidazole
CID 10059100
methyl 2-(4-butylphenyl)acetate
CID 10442975
3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide
CID 46102042
1-(5-butylimidazol-1-yl)-5-(4-methoxyphenyl)pentan-2-one
CID 19813174
3-[4-(4-butylphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 24720807
1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 153390159
3-[4-(4-butylphenyl)phenyl]-N-(3,3-dimethylbutyl)imidazole-4-carboxamide
CID 46103152
2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 10449557

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one?
The IUPAC name of 1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one (CID 161360346) is 1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one?
The canonical SMILES for 1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one is CCCCc1ccc(CC(=O)Cc2cncn2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one?
The InChIKey is VPBXXASPOOXEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-3-7-18-10-12-19(13-11-18)14-22(25)15-21-16-23-17-24(21)20-8-5-4-6-9-20/h4-6,8-13,16-17H,2-3,7,14-15H2,1H3.
What are the key properties of 1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one?
1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one has a molecular weight of 332.45 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one is sourced from PubChem (CID 161360346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).