1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol

C17H24N2O — CID 115819265

IUPAC1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-5-19-11-10-18-16(19)12-15(20)13-8-6-7-9-14(13)17(2,3)4/h6-11,15,20H,5,12H2,1-4H3
InChIKeyDNYYEDKMXPPOTP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.48
Rot. Bonds4

About 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol

1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol (PubChem CID 115819265) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
PubChem CID115819265
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H24N2O/c1-5-19-11-10-18-16(19)12-15(20)13-8-6-7-9-14(13)17(2,3)4/h6-11,15,20H,5,12H2,1-4H3
InChIKeyDNYYEDKMXPPOTP-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009550
2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol
CID 115819308
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
[2-(1-ethylimidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105321898
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanol
CID 105112369
2-(1-ethylimidazol-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanol
CID 103129027
1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819253
2-(1-ethylimidazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115819361
[2-(1-ethylimidazol-2-yl)-1-naphthalen-1-ylethyl]hydrazine
CID 105213300
2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
CID 79744762
2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066362

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol (CID 115819265) is 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1CC(O)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is DNYYEDKMXPPOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-19-11-10-18-16(19)12-15(20)13-8-6-7-9-14(13)17(2,3)4/h6-11,15,20H,5,12H2,1-4H3.
What are the key properties of 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol?
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol has a molecular weight of 272.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 115819265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).