1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one

C19H26N4O — CID 25284972

IUPAC1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2nccn2-c2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-3-4-5-18(24)21-12-14-22(15-13-21)19-20-10-11-23(19)17-8-6-16(2)7-9-17/h6-11H,3-5,12-15H2,1-2H3
InChIKeyKCKZSNUBRSSHCC-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.02
Rot. Bonds5

About 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one

1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one (PubChem CID 25284972) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one
PubChem CID25284972
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2nccn2-c2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-3-4-5-18(24)21-12-14-22(15-13-21)19-20-10-11-23(19)17-8-6-16(2)7-9-17/h6-11H,3-5,12-15H2,1-2H3
InChIKeyKCKZSNUBRSSHCC-UHFFFAOYSA-N
XLogP3.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one (CID 25284972) is 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(c2nccn2-c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one?
The InChIKey is KCKZSNUBRSSHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-4-5-18(24)21-12-14-22(15-13-21)19-20-10-11-23(19)17-8-6-16(2)7-9-17/h6-11H,3-5,12-15H2,1-2H3.
What are the key properties of 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one?
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 25284972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).