1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol

C16H22N2O — CID 105112400

IUPAC1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
SMILESCCn1ccnc1CC(O)CCc1cccc(C)c1
InChIInChI=1S/C16H22N2O/c1-3-18-10-9-17-16(18)12-15(19)8-7-14-6-4-5-13(2)11-14/h4-6,9-11,15,19H,3,7-8,12H2,1-2H3
InChIKeyWHAONLXWXPUMLP-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.75
Rot. Bonds6

About 1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol

1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol (PubChem CID 105112400) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
PubChem CID105112400
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
SMILESCCn1ccnc1CC(O)CCc1cccc(C)c1
InChIInChI=1S/C16H22N2O/c1-3-18-10-9-17-16(18)12-15(19)8-7-14-6-4-5-13(2)11-14/h4-6,9-11,15,19H,3,7-8,12H2,1-2H3
InChIKeyWHAONLXWXPUMLP-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105113610
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(3-methylphenyl)butan-2-ol
CID 105109667
1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
CID 79751475
1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
CID 105112307
1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 115819194
1-(3,5-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 79753096
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(3-methylphenyl)ethanamine
CID 79751577
1-(3,4-dimethylphenyl)-4-(3-methylphenyl)butan-2-ol
CID 63520342
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol
CID 105112379

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol (CID 105112400) is 1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol is CCn1ccnc1CC(O)CCc1cccc(C)c1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol?
The InChIKey is WHAONLXWXPUMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-18-10-9-17-16(18)12-15(19)8-7-14-6-4-5-13(2)11-14/h4-6,9-11,15,19H,3,7-8,12H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol?
1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol has a molecular weight of 258.37 g/mol, XLogP of 2.75, 6 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)-4-(3-methylphenyl)butan-2-ol is sourced from PubChem (CID 105112400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).