1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol

C12H12Cl2N2O — CID 56692684

IUPAC1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-16-5-4-15-12(16)7-11(17)9-3-2-8(13)6-10(9)14/h2-6,11,17H,7H2,1H3
InChIKeyBPZQBECBXOWLEV-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.00
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol

1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 56692684) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
PubChem CID56692684
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-16-5-4-15-12(16)7-11(17)9-3-2-8(13)6-10(9)14/h2-6,11,17H,7H2,1H3
InChIKeyBPZQBECBXOWLEV-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridinyl)-2-(1-methylimidazol-2-yl)ethanol
CID 105113541
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820394
1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529322
1-(2-chloro-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 106859395
1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752627
1-(4-chloro-2-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837996
1-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744422
2-(1-methylimidazol-2-yl)-1-quinolin-8-ylethanol
CID 79744882
(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 55191286
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744159
1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529939

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol (CID 56692684) is 1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol is Cn1ccnc1CC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is BPZQBECBXOWLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-16-5-4-15-12(16)7-11(17)9-3-2-8(13)6-10(9)14/h2-6,11,17H,7H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol?
1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 271.15 g/mol, XLogP of 3.00, 3 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-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 56692684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).