1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol

C17H13Cl3N2O — CID 20519458

IUPAC1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl3N2O/c18-13-3-1-12(2-4-13)17(23,10-22-8-7-21-11-22)15-6-5-14(19)9-16(15)20/h1-9,11,23H,10H2
InChIKeyJWNCWCBYPSOHNH-UHFFFAOYSA-N
MW367.66 g/mol
LogP4.78
Rot. Bonds4

About 1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol

1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol (PubChem CID 20519458) has the molecular formula C17H13Cl3N2O and a molecular weight of 367.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
PubChem CID20519458
Molecular FormulaC17H13Cl3N2O
Molecular Weight367.66 g/mol
Exact Mass366.01
IUPAC Name1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl3N2O/c18-13-3-1-12(2-4-13)17(23,10-22-8-7-21-11-22)15-6-5-14(19)9-16(15)20/h1-9,11,23H,10H2
InChIKeyJWNCWCBYPSOHNH-UHFFFAOYSA-N
XLogP4.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
CID 70569120
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole
CID 19759744
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
CID 70480605
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-prop-2-enoxypropan-2-ol
CID 3068282
(2S)-1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;hydrochloride
CID 70472519
4-(2,4-dichlorophenyl)-4-hydroxy-5-imidazol-1-yl-3-sulfanylpentanoic acid
CID 88691821
1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 3068301
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 20519440
1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol
CID 22379743

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol (CID 20519458) is 1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol is OC(Cn1ccnc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is JWNCWCBYPSOHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O/c18-13-3-1-12(2-4-13)17(23,10-22-8-7-21-11-22)15-6-5-14(19)9-16(15)20/h1-9,11,23H,10H2.
What are the key properties of 1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol has a molecular weight of 367.66 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 20519458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).