1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol

C16H22N2O — CID 79744037

IUPAC1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc(C(C)(O)Cc2nccn2CC)cc1
InChIInChI=1S/C16H22N2O/c1-4-13-6-8-14(9-7-13)16(3,19)12-15-17-10-11-18(15)5-2/h6-11,19H,4-5,12H2,1-3H3
InChIKeyXUDNGBAKGXZVNK-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.92
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol

1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol (PubChem CID 79744037) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol
PubChem CID79744037
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc(C(C)(O)Cc2nccn2CC)cc1
InChIInChI=1S/C16H22N2O/c1-4-13-6-8-14(9-7-13)16(3,19)12-15-17-10-11-18(15)5-2/h6-11,19H,4-5,12H2,1-3H3
InChIKeyXUDNGBAKGXZVNK-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 114833123
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
CID 79744762
2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744402
1-(1-ethylimidazol-2-yl)-2-(2-methoxyphenyl)propan-2-ol
CID 79744124
1-ethyl-2-[(4-ethylphenoxy)methyl]imidazole
CID 63678506
2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
CID 82779028
2-(4-ethylphenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79739586
4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol
CID 79760958
2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol
CID 109380397
2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol
CID 101390378
4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol
CID 83075627

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol (CID 79744037) is 1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol is CCc1ccc(C(C)(O)Cc2nccn2CC)cc1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol?
The InChIKey is XUDNGBAKGXZVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-13-6-8-14(9-7-13)16(3,19)12-15-17-10-11-18(15)5-2/h6-11,19H,4-5,12H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol?
1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol has a molecular weight of 258.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol is sourced from PubChem (CID 79744037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).