[2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone

C24H27BrN4O — CID 134273336

IUPAC[2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone
SMILESCCCc1cc(-c2nc(-c3ccc(C(=O)N4CCCCC4)c(Br)c3)cn2C)ccn1
InChIInChI=1S/C24H27BrN4O/c1-3-7-19-14-18(10-11-26-19)23-27-22(16-28(23)2)17-8-9-20(21(25)15-17)24(30)29-12-5-4-6-13-29/h8-11,14-16H,3-7,12-13H2,1-2H3
InChIKeyKHPUBMWFKROXON-UHFFFAOYSA-N
MW467.41 g/mol
LogP5.49
Rot. Bonds5

About [2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone

[2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 134273336) has the molecular formula C24H27BrN4O and a molecular weight of 467.41 g/mol. Its IUPAC name is [2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID134273336
Molecular FormulaC24H27BrN4O
Molecular Weight467.41 g/mol
Exact Mass466.14
IUPAC Name[2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone
SMILESCCCc1cc(-c2nc(-c3ccc(C(=O)N4CCCCC4)c(Br)c3)cn2C)ccn1
InChIInChI=1S/C24H27BrN4O/c1-3-7-19-14-18(10-11-26-19)23-27-22(16-28(23)2)17-8-9-20(21(25)15-17)24(30)29-12-5-4-6-13-29/h8-11,14-16H,3-7,12-13H2,1-2H3
InChIKeyKHPUBMWFKROXON-UHFFFAOYSA-N
XLogP5.49
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.41
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone (CID 134273336) is [2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone is CCCc1cc(-c2nc(-c3ccc(C(=O)N4CCCCC4)c(Br)c3)cn2C)ccn1.
What is the InChIKey of [2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is KHPUBMWFKROXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O/c1-3-7-19-14-18(10-11-26-19)23-27-22(16-28(23)2)17-8-9-20(21(25)15-17)24(30)29-12-5-4-6-13-29/h8-11,14-16H,3-7,12-13H2,1-2H3.
What are the key properties of [2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone?
[2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 467.41 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-[1-methyl-2-(2-propyl-4-pyridinyl)imidazol-4-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134273336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).