3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one

C14H17ClN4O — CID 11680876

IUPAC3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one
SMILESCN1CCN(C2=NC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C14H17ClN4O/c1-17-6-8-18(9-7-17)13-10-19(14(20)16-13)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3
InChIKeyGXVGRBPHPWOBJP-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.93
Rot. Bonds1

About 3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one

3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one (PubChem CID 11680876) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one
PubChem CID11680876
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one
SMILESCN1CCN(C2=NC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C14H17ClN4O/c1-17-6-8-18(9-7-17)13-10-19(14(20)16-13)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3
InChIKeyGXVGRBPHPWOBJP-UHFFFAOYSA-N
XLogP1.93
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one (CID 11680876) is 3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one is CN1CCN(C2=NC(=O)N(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one?
The InChIKey is GXVGRBPHPWOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-17-6-8-18(9-7-17)13-10-19(14(20)16-13)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one?
3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one has a molecular weight of 292.77 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-4H-imidazol-2-one is sourced from PubChem (CID 11680876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).