[4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone

C23H26Cl2N4O — CID 56663351

IUPAC[4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(C)CC1
InChIInChI=1S/C23H26Cl2N4O/c1-3-20-26-21(16-4-8-18(24)9-5-16)22(17-6-10-19(25)11-7-17)29(20)23(30)28-14-12-27(2)13-15-28/h4-11,21-22H,3,12-15H2,1-2H3
InChIKeyDKMWGTZSSWGBAD-UHFFFAOYSA-N
MW445.39 g/mol
LogP5.27
Rot. Bonds3

About [4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone

[4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 56663351) has the molecular formula C23H26Cl2N4O and a molecular weight of 445.39 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID56663351
Molecular FormulaC23H26Cl2N4O
Molecular Weight445.39 g/mol
Exact Mass444.15
IUPAC Name[4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(C)CC1
InChIInChI=1S/C23H26Cl2N4O/c1-3-20-26-21(16-4-8-18(24)9-5-16)22(17-6-10-19(25)11-7-17)29(20)23(30)28-14-12-27(2)13-15-28/h4-11,21-22H,3,12-15H2,1-2H3
InChIKeyDKMWGTZSSWGBAD-UHFFFAOYSA-N
XLogP5.27
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.39
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 56663351) is [4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone is CCC1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(C)CC1.
What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DKMWGTZSSWGBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O/c1-3-20-26-21(16-4-8-18(24)9-5-16)22(17-6-10-19(25)11-7-17)29(20)23(30)28-14-12-27(2)13-15-28/h4-11,21-22H,3,12-15H2,1-2H3.
What are the key properties of [4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 445.39 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-chlorophenyl)-2-ethyl-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 56663351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).