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

C11H10Cl2N2O — CID 22379743

IUPAC1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol
SMILESCC(O)(c1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C11H10Cl2N2O/c1-11(16,15-5-4-14-7-15)9-3-2-8(12)6-10(9)13/h2-7,16H,1H3
InChIKeyDCFJTZXIMWBBPN-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.90
Rot. Bonds2

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

1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol (PubChem CID 22379743) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol
PubChem CID22379743
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol
SMILESCC(O)(c1ccc(Cl)cc1Cl)n1ccnc1
InChIInChI=1S/C11H10Cl2N2O/c1-11(16,15-5-4-14-7-15)9-3-2-8(12)6-10(9)13/h2-7,16H,1H3
InChIKeyDCFJTZXIMWBBPN-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol (CID 22379743) is 1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol is CC(O)(c1ccc(Cl)cc1Cl)n1ccnc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol?
The InChIKey is DCFJTZXIMWBBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-11(16,15-5-4-14-7-15)9-3-2-8(12)6-10(9)13/h2-7,16H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol?
1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol has a molecular weight of 257.12 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol is sourced from PubChem (CID 22379743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).