2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol

C16H21ClN2O — CID 70463706

IUPAC2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol
SMILESCc1nccn1CC(O)(c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C16H21ClN2O/c1-12-18-9-10-19(12)11-16(20,15(2,3)4)13-5-7-14(17)8-6-13/h5-10,20H,11H2,1-4H3
InChIKeyGGLVVAZSCYKQGR-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.78
Rot. Bonds3

About 2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol

2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol (PubChem CID 70463706) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol
PubChem CID70463706
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol
SMILESCc1nccn1CC(O)(c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C16H21ClN2O/c1-12-18-9-10-19(12)11-16(20,15(2,3)4)13-5-7-14(17)8-6-13/h5-10,20H,11H2,1-4H3
InChIKeyGGLVVAZSCYKQGR-UHFFFAOYSA-N
XLogP3.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol (CID 70463706) is 2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol is Cc1nccn1CC(O)(c1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol?
The InChIKey is GGLVVAZSCYKQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-12-18-9-10-19(12)11-16(20,15(2,3)4)13-5-7-14(17)8-6-13/h5-10,20H,11H2,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol?
2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol has a molecular weight of 292.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,3-dimethyl-1-(2-methylimidazol-1-yl)butan-2-ol is sourced from PubChem (CID 70463706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).