[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone

C24H27N3O — CID 10109902

IUPAC[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc(C(=O)N3CCCCC3)n(C)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27N3O/c1-17-7-11-19(12-8-17)21-22(20-13-9-18(2)10-14-20)26(3)23(25-21)24(28)27-15-5-4-6-16-27/h7-14H,4-6,15-16H2,1-3H3
InChIKeyODFUPIJXHKDJJI-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.00
Rot. Bonds3

About [1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone

[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone (PubChem CID 10109902) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is [1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone
PubChem CID10109902
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc(C(=O)N3CCCCC3)n(C)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27N3O/c1-17-7-11-19(12-8-17)21-22(20-13-9-18(2)10-14-20)26(3)23(25-21)24(28)27-15-5-4-6-16-27/h7-14H,4-6,15-16H2,1-3H3
InChIKeyODFUPIJXHKDJJI-UHFFFAOYSA-N
XLogP5.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone (CID 10109902) is [1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone is Cc1ccc(-c2nc(C(=O)N3CCCCC3)n(C)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of [1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone?
The InChIKey is ODFUPIJXHKDJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-7-11-19(12-8-17)21-22(20-13-9-18(2)10-14-20)26(3)23(25-21)24(28)27-15-5-4-6-16-27/h7-14H,4-6,15-16H2,1-3H3.
What are the key properties of [1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone?
[1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 373.50 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4,5-bis(4-methylphenyl)imidazol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 10109902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).