1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one

C19H28N6O — CID 166370342

IUPAC1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one
SMILESCCC(C)c1nccc(N2CCN(C(=O)CCCn3ccnc3)CC2)n1
InChIInChI=1S/C19H28N6O/c1-3-16(2)19-21-7-6-17(22-19)24-11-13-25(14-12-24)18(26)5-4-9-23-10-8-20-15-23/h6-8,10,15-16H,3-5,9,11-14H2,1-2H3
InChIKeyJQYXOHYCJJGHSW-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.32
Rot. Bonds7

About 1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one

1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one (PubChem CID 166370342) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one
PubChem CID166370342
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one
SMILESCCC(C)c1nccc(N2CCN(C(=O)CCCn3ccnc3)CC2)n1
InChIInChI=1S/C19H28N6O/c1-3-16(2)19-21-7-6-17(22-19)24-11-13-25(14-12-24)18(26)5-4-9-23-10-8-20-15-23/h6-8,10,15-16H,3-5,9,11-14H2,1-2H3
InChIKeyJQYXOHYCJJGHSW-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one with MolForge

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Related Compounds

2-hydroxy-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 136519236
4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 70721511
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one
CID 124954713
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833
4-imidazol-1-yl-1-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)butan-1-one
CID 118761204
4-imidazol-1-yl-1-[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110098335
(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97125136
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 86848942
8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72863911
(3R)-3-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]butanoic acid
CID 57265869
1-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-imidazol-1-ylbutan-1-one
CID 90647542

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one?
The IUPAC name of 1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one (CID 166370342) is 1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one?
The canonical SMILES for 1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one is CCC(C)c1nccc(N2CCN(C(=O)CCCn3ccnc3)CC2)n1.
What is the InChIKey of 1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one?
The InChIKey is JQYXOHYCJJGHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-3-16(2)19-21-7-6-17(22-19)24-11-13-25(14-12-24)18(26)5-4-9-23-10-8-20-15-23/h6-8,10,15-16H,3-5,9,11-14H2,1-2H3.
What are the key properties of 1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one?
1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-butan-2-ylpyrimidin-4-yl)piperazin-1-yl]-4-imidazol-1-ylbutan-1-one is sourced from PubChem (CID 166370342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).