[3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

C24H27N3O — CID 92767524

IUPAC[3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N3CCC[C@@H](C)C3)cc2)c1
InChIInChI=1S/C24H27N3O/c1-17-5-4-10-26(15-17)24(28)23-14-25-16-27(23)22-8-6-20(7-9-22)21-12-18(2)11-19(3)13-21/h6-9,11-14,16-17H,4-5,10,15H2,1-3H3/t17-/m1/s1
InChIKeyDMISADZAQLNHLI-QGZVFWFLSA-N
MW373.50 g/mol
LogP5.03
Rot. Bonds3

About [3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

[3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 92767524) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is [3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID92767524
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name[3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESCc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N3CCC[C@@H](C)C3)cc2)c1
InChIInChI=1S/C24H27N3O/c1-17-5-4-10-26(15-17)24(28)23-14-25-16-27(23)22-8-6-20(7-9-22)21-12-18(2)11-19(3)13-21/h6-9,11-14,16-17H,4-5,10,15H2,1-3H3/t17-/m1/s1
InChIKeyDMISADZAQLNHLI-QGZVFWFLSA-N
XLogP5.03
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 ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone (CID 92767524) is [3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is Cc1cc(C)cc(-c2ccc(-n3cncc3C(=O)N3CCC[C@@H](C)C3)cc2)c1.
What is the InChIKey of [3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is DMISADZAQLNHLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-5-4-10-26(15-17)24(28)23-14-25-16-27(23)22-8-6-20(7-9-22)21-12-18(2)11-19(3)13-21/h6-9,11-14,16-17H,4-5,10,15H2,1-3H3/t17-/m1/s1.
What are the key properties of [3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone?
[3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3,5-dimethylphenyl)phenyl]imidazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 92767524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).