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

C18H23ClN4O — CID 121477791

IUPAC(4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H23ClN4O/c19-15-6-4-14(5-7-15)17(24)23-9-8-20-18(23)22-12-10-21(11-13-22)16-2-1-3-16/h4-7,16H,1-3,8-13H2
InChIKeyNRVGSEJKKKWPJX-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.32
Rot. Bonds2

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

(4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 121477791) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID121477791
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name(4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H23ClN4O/c19-15-6-4-14(5-7-15)17(24)23-9-8-20-18(23)22-12-10-21(11-13-22)16-2-1-3-16/h4-7,16H,1-3,8-13H2
InChIKeyNRVGSEJKKKWPJX-UHFFFAOYSA-N
XLogP2.32
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone (CID 121477791) is (4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is NRVGSEJKKKWPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-15-6-4-14(5-7-15)17(24)23-9-8-20-18(23)22-12-10-21(11-13-22)16-2-1-3-16/h4-7,16H,1-3,8-13H2.
What are the key properties of (4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
(4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 346.86 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 121477791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).