1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol

C21H22Cl2N2O2 — CID 70524661

IUPAC1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol
SMILESCc1nccn1CC(C)C(O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H22Cl2N2O2/c1-14(12-25-10-9-24-15(25)2)21(26)16-4-7-19(8-5-16)27-13-17-3-6-18(22)11-20(17)23/h3-11,14,21,26H,12-13H2,1-2H3
InChIKeyVUBZYNHSGLYSMP-UHFFFAOYSA-N
MW405.33 g/mol
LogP5.45
Rot. Bonds7

About 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol

1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol (PubChem CID 70524661) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol
PubChem CID70524661
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol
SMILESCc1nccn1CC(C)C(O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H22Cl2N2O2/c1-14(12-25-10-9-24-15(25)2)21(26)16-4-7-19(8-5-16)27-13-17-3-6-18(22)11-20(17)23/h3-11,14,21,26H,12-13H2,1-2H3
InChIKeyVUBZYNHSGLYSMP-UHFFFAOYSA-N
XLogP5.45
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122490
(2S)-1-(2,4-dichlorophenoxy)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 697663
1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanol
CID 106864305
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
(1R)-1-[4-[(2,4-dichlorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720070
1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol
CID 70525917
1-(3,4-difluorophenyl)-2-(2-methylimidazol-1-yl)ethanol
CID 110898736
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
(1R)-1-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-1-ol
CID 106864374
1-[3-[4-(4-chlorophenoxy)phenyl]-2-methylpropyl]-2-methylimidazole
CID 70525045
2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63977323

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol?
The IUPAC name of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol (CID 70524661) is 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol?
The canonical SMILES for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol is Cc1nccn1CC(C)C(O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol?
The InChIKey is VUBZYNHSGLYSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c1-14(12-25-10-9-24-15(25)2)21(26)16-4-7-19(8-5-16)27-13-17-3-6-18(22)11-20(17)23/h3-11,14,21,26H,12-13H2,1-2H3.
What are the key properties of 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol?
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol has a molecular weight of 405.33 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 70524661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).