1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol

C17H14Cl2N2O — CID 13269114

IUPAC1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
SMILESOC(Cn1ccnc1)(c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O/c18-14-6-7-15(16(19)10-14)17(22,11-21-9-8-20-12-21)13-4-2-1-3-5-13/h1-10,12,22H,11H2
InChIKeyXESJIMIEQBSWEE-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.13
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol

1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol (PubChem CID 13269114) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
PubChem CID13269114
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
SMILESOC(Cn1ccnc1)(c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O/c18-14-6-7-15(16(19)10-14)17(22,11-21-9-8-20-12-21)13-4-2-1-3-5-13/h1-10,12,22H,11H2
InChIKeyXESJIMIEQBSWEE-UHFFFAOYSA-N
XLogP4.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
CID 70569120
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 3068311
2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
2-imidazol-1-yl-1-(4-methylphenyl)-1-phenylethanol
CID 15085528
4-(2,4-dichlorophenyl)-4-hydroxy-5-imidazol-1-yl-3-sulfanylpentanoic acid
CID 88691821
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol (CID 13269114) is 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol is OC(Cn1ccnc1)(c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol?
The InChIKey is XESJIMIEQBSWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-14-6-7-15(16(19)10-14)17(22,11-21-9-8-20-12-21)13-4-2-1-3-5-13/h1-10,12,22H,11H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol?
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol has a molecular weight of 333.22 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol is sourced from PubChem (CID 13269114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).