1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone

C24H27N3O — CID 50981696

IUPAC1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cnc(-c3ccccc3)c2-c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C24H27N3O/c1-17-9-10-21(15-18(17)2)24-23(20-7-5-4-6-8-20)25-16-27(24)22-11-13-26(14-12-22)19(3)28/h4-10,15-16,22H,11-14H2,1-3H3
InChIKeyANTKXZLXDBFDAJ-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.02
Rot. Bonds3

About 1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone

1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 50981696) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone
PubChem CID50981696
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cnc(-c3ccccc3)c2-c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C24H27N3O/c1-17-9-10-21(15-18(17)2)24-23(20-7-5-4-6-8-20)25-16-27(24)22-11-13-26(14-12-22)19(3)28/h4-10,15-16,22H,11-14H2,1-3H3
InChIKeyANTKXZLXDBFDAJ-UHFFFAOYSA-N
XLogP5.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone (CID 50981696) is 1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cnc(-c3ccccc3)c2-c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is ANTKXZLXDBFDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-9-10-21(15-18(17)2)24-23(20-7-5-4-6-8-20)25-16-27(24)22-11-13-26(14-12-22)19(3)28/h4-10,15-16,22H,11-14H2,1-3H3.
What are the key properties of 1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 373.50 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3,4-dimethylphenyl)-4-phenylimidazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50981696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).