1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone

C22H23ClN4O — CID 20683971

IUPAC1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1[nH]c(-c2ccc(N3CCN(C)CC3)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O/c1-15(28)20-21(16-3-7-18(23)8-4-16)25-22(24-20)17-5-9-19(10-6-17)27-13-11-26(2)12-14-27/h3-10H,11-14H2,1-2H3,(H,24,25)
InChIKeyZGWYLOKDUZKHTG-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.35
Rot. Bonds4

About 1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone

1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone (PubChem CID 20683971) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone
PubChem CID20683971
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1[nH]c(-c2ccc(N3CCN(C)CC3)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O/c1-15(28)20-21(16-3-7-18(23)8-4-16)25-22(24-20)17-5-9-19(10-6-17)27-13-11-26(2)12-14-27/h3-10H,11-14H2,1-2H3,(H,24,25)
InChIKeyZGWYLOKDUZKHTG-UHFFFAOYSA-N
XLogP4.35
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone (CID 20683971) is 1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone is CC(=O)c1[nH]c(-c2ccc(N3CCN(C)CC3)cc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone?
The InChIKey is ZGWYLOKDUZKHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-15(28)20-21(16-3-7-18(23)8-4-16)25-22(24-20)17-5-9-19(10-6-17)27-13-11-26(2)12-14-27/h3-10H,11-14H2,1-2H3,(H,24,25).
What are the key properties of 1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone?
1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone has a molecular weight of 394.91 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-5-yl]ethanone is sourced from PubChem (CID 20683971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).