ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane

C22H42N2O — CID 164877712

IUPACethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
SMILESCC.CC.CC.CCC.CCc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C13H16N2O.C3H8.3C2H6/c1-2-12-3-5-13(6-4-12)16-10-9-15-8-7-14-11-15;1-3-2;3*1-2/h3-8,11H,2,9-10H2,1H3;3H2,1-2H3;3*1-2H3
InChIKeyLXKXZJDVOLMBDM-UHFFFAOYSA-N
MW350.59 g/mol
LogP7.02
Rot. Bonds5

About ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane

ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane (PubChem CID 164877712) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane.

Molecular Properties

Compound Nameethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
PubChem CID164877712
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC Nameethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
SMILESCC.CC.CC.CCC.CCc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C13H16N2O.C3H8.3C2H6/c1-2-12-3-5-13(6-4-12)16-10-9-15-8-7-14-11-15;1-3-2;3*1-2/h3-8,11H,2,9-10H2,1H3;3H2,1-2H3;3*1-2H3
InChIKeyLXKXZJDVOLMBDM-UHFFFAOYSA-N
XLogP7.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
propyl 4-(2-imidazol-1-ylethoxy)benzoate
CID 173412849
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270
3-ethyl-4-[4-(2-imidazol-1-ylethoxy)phenyl]phenol
CID 137341712
1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole
CID 99926038
dimethyl (Z)-2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-propan-2-ylbut-2-enedioate
CID 66648818
N-[2-(4-butylphenoxy)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 18349593
2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine
CID 79799328

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane?
The IUPAC name of ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane (CID 164877712) is ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane.
What is the SMILES notation for ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane?
The canonical SMILES for ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane is CC.CC.CC.CCC.CCc1ccc(OCCn2ccnc2)cc1.
What is the InChIKey of ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane?
The InChIKey is LXKXZJDVOLMBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C3H8.3C2H6/c1-2-12-3-5-13(6-4-12)16-10-9-15-8-7-14-11-15;1-3-2;3*1-2/h3-8,11H,2,9-10H2,1H3;3H2,1-2H3;3*1-2H3.
What are the key properties of ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane?
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane has a molecular weight of 350.59 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane is sourced from PubChem (CID 164877712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).