2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol

C17H24N2O — CID 79744402

IUPAC2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCn1ccnc1CC(C)(O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H24N2O/c1-5-9-19-10-8-18-16(19)12-17(4,20)15-7-6-13(2)14(3)11-15/h6-8,10-11,20H,5,9,12H2,1-4H3
InChIKeyDOZGLLHGAQYMDQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.36
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol

2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol (PubChem CID 79744402) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
PubChem CID79744402
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCn1ccnc1CC(C)(O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H24N2O/c1-5-9-19-10-8-18-16(19)12-17(4,20)15-7-6-13(2)14(3)11-15/h6-8,10-11,20H,5,9,12H2,1-4H3
InChIKeyDOZGLLHGAQYMDQ-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
2-(2,5-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744677
1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol
CID 79744037
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744738
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 114228321
4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 79761465
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
CID 116535799
3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol
CID 79738150
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole
CID 79762064

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol (CID 79744402) is 2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol is CCCn1ccnc1CC(C)(O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol?
The InChIKey is DOZGLLHGAQYMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-9-19-10-8-18-16(19)12-17(4,20)15-7-6-13(2)14(3)11-15/h6-8,10-11,20H,5,9,12H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol?
2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79744402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).