1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one

C21H23N3O — CID 160531362

IUPAC1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one
SMILESCc1cc(C)c(CCC(=O)Cc2ncc(-c3ccccn3)[nH]2)c(C)c1
InChIInChI=1S/C21H23N3O/c1-14-10-15(2)18(16(3)11-14)8-7-17(25)12-21-23-13-20(24-21)19-6-4-5-9-22-19/h4-6,9-11,13H,7-8,12H2,1-3H3,(H,23,24)
InChIKeyQVOUDAMQKVMWQI-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.14
Rot. Bonds6

About 1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one

1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one (PubChem CID 160531362) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one.

Molecular Properties

Compound Name1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one
PubChem CID160531362
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one
SMILESCc1cc(C)c(CCC(=O)Cc2ncc(-c3ccccn3)[nH]2)c(C)c1
InChIInChI=1S/C21H23N3O/c1-14-10-15(2)18(16(3)11-14)8-7-17(25)12-21-23-13-20(24-21)19-6-4-5-9-22-19/h4-6,9-11,13H,7-8,12H2,1-3H3,(H,23,24)
InChIKeyQVOUDAMQKVMWQI-UHFFFAOYSA-N
XLogP4.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one with MolForge

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Related Compounds

3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-ol
CID 116878481
1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880786
2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine
CID 116877273
2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
CID 90457020
2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 116877075
4-pyridin-4-yl-1-(2,4,6-trimethylphenyl)butan-2-one
CID 105085803
N,5-dimethyl-N-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1H-indazole-7-sulfonamide
CID 175971341
2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide
CID 139606187
trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 135377670
2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116878624
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one?
The IUPAC name of 1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one (CID 160531362) is 1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one.
What is the SMILES notation for 1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one?
The canonical SMILES for 1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one is Cc1cc(C)c(CCC(=O)Cc2ncc(-c3ccccn3)[nH]2)c(C)c1.
What is the InChIKey of 1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one?
The InChIKey is QVOUDAMQKVMWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-10-15(2)18(16(3)11-14)8-7-17(25)12-21-23-13-20(24-21)19-6-4-5-9-22-19/h4-6,9-11,13H,7-8,12H2,1-3H3,(H,23,24).
What are the key properties of 1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one?
1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one has a molecular weight of 333.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one is sourced from PubChem (CID 160531362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).