2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol

C22H24Cl2N4O — CID 3068311

IUPAC2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(CN1CCN(c2ccccc2)CC1)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H24Cl2N4O/c23-18-6-7-20(21(24)14-18)22(29,16-27-9-8-25-17-27)15-26-10-12-28(13-11-26)19-4-2-1-3-5-19/h1-9,14,17,29H,10-13,15-16H2
InChIKeyQUQQLXMRELPCKR-UHFFFAOYSA-N
MW431.37 g/mol
LogP3.90
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol

2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 3068311) has the molecular formula C22H24Cl2N4O and a molecular weight of 431.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID3068311
Molecular FormulaC22H24Cl2N4O
Molecular Weight431.37 g/mol
Exact Mass430.13
IUPAC Name2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(CN1CCN(c2ccccc2)CC1)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H24Cl2N4O/c23-18-6-7-20(21(24)14-18)22(29,16-27-9-8-25-17-27)15-26-10-12-28(13-11-26)19-4-2-1-3-5-19/h1-9,14,17,29H,10-13,15-16H2
InChIKeyQUQQLXMRELPCKR-UHFFFAOYSA-N
XLogP3.90
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 3068311) is 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol is OC(CN1CCN(c2ccccc2)CC1)(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is QUQQLXMRELPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O/c23-18-6-7-20(21(24)14-18)22(29,16-27-9-8-25-17-27)15-26-10-12-28(13-11-26)19-4-2-1-3-5-19/h1-9,14,17,29H,10-13,15-16H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol?
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 431.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 3068311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).