[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone

C19H26N4O — CID 121477880

IUPAC[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN=C2N2CCN(C3CCC3)CC2)c1
InChIInChI=1S/C19H26N4O/c1-15-4-2-5-16(14-15)18(24)23-9-8-20-19(23)22-12-10-21(11-13-22)17-6-3-7-17/h2,4-5,14,17H,3,6-13H2,1H3
InChIKeyWMARCUMPXIUTPA-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.98
Rot. Bonds2

About [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone

[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone (PubChem CID 121477880) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone
PubChem CID121477880
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN=C2N2CCN(C3CCC3)CC2)c1
InChIInChI=1S/C19H26N4O/c1-15-4-2-5-16(14-15)18(24)23-9-8-20-19(23)22-12-10-21(11-13-22)17-6-3-7-17/h2,4-5,14,17H,3,6-13H2,1H3
InChIKeyWMARCUMPXIUTPA-UHFFFAOYSA-N
XLogP1.98
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone (CID 121477880) is [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN=C2N2CCN(C3CCC3)CC2)c1.
What is the InChIKey of [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone?
The InChIKey is WMARCUMPXIUTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-4-2-5-16(14-15)18(24)23-9-8-20-19(23)22-12-10-21(11-13-22)17-6-3-7-17/h2,4-5,14,17H,3,6-13H2,1H3.
What are the key properties of [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone?
[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone has a molecular weight of 326.44 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 121477880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).