1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol

C17H23ClN2O — CID 70465219

IUPAC1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol
SMILESCC(C)(C)CCc1nccn1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O/c1-17(2,3)9-8-16-19-10-11-20(16)12-15(21)13-4-6-14(18)7-5-13/h4-7,10-11,15,21H,8-9,12H2,1-3H3
InChIKeyMMBNNOJJKGZBJP-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.25
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol

1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol (PubChem CID 70465219) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol
PubChem CID70465219
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol
SMILESCC(C)(C)CCc1nccn1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O/c1-17(2,3)9-8-16-19-10-11-20(16)12-15(21)13-4-6-14(18)7-5-13/h4-7,10-11,15,21H,8-9,12H2,1-3H3
InChIKeyMMBNNOJJKGZBJP-UHFFFAOYSA-N
XLogP4.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol (CID 70465219) is 1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol is CC(C)(C)CCc1nccn1CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol?
The InChIKey is MMBNNOJJKGZBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-17(2,3)9-8-16-19-10-11-20(16)12-15(21)13-4-6-14(18)7-5-13/h4-7,10-11,15,21H,8-9,12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol?
1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol has a molecular weight of 306.84 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-(3,3-dimethylbutyl)imidazol-1-yl]ethanol is sourced from PubChem (CID 70465219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).