2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol

C16H20Cl2N4O — CID 70480605

IUPAC2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N4O/c17-13-1-2-14(15(18)9-13)16(23,11-22-8-5-20-12-22)10-21-6-3-19-4-7-21/h1-2,5,8-9,12,19,23H,3-4,6-7,10-11H2
InChIKeyXIWMZCBKPJVLFX-UHFFFAOYSA-N
MW355.27 g/mol
LogP1.98
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol

2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol (PubChem CID 70480605) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
PubChem CID70480605
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC Name2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N4O/c17-13-1-2-14(15(18)9-13)16(23,11-22-8-5-20-12-22)10-21-6-3-19-4-7-21/h1-2,5,8-9,12,19,23H,3-4,6-7,10-11H2
InChIKeyXIWMZCBKPJVLFX-UHFFFAOYSA-N
XLogP1.98
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-morpholin-4-ylpropan-2-ol
CID 13189528
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 3068311
2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
CID 70569120
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
CID 3068282
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 20519458
1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 3068301
(2S)-1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;hydrochloride
CID 70472519
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole
CID 19759744
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 20519440
4-(2,4-dichlorophenyl)-4-hydroxy-5-imidazol-1-yl-3-sulfanylpentanoic acid
CID 88691821
2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)pent-4-ynenitrile
CID 23339888

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol (CID 70480605) is 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol is OC(CN1CCNCC1)(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol?
The InChIKey is XIWMZCBKPJVLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O/c17-13-1-2-14(15(18)9-13)16(23,11-22-8-5-20-12-22)10-21-6-3-19-4-7-21/h1-2,5,8-9,12,19,23H,3-4,6-7,10-11H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol?
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol has a molecular weight of 355.27 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 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-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 70480605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).