1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole

C14H26N2O3 — CID 176721409

IUPAC1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole
SMILESCC(C)CCOCCOCCOCCn1ccnc1
InChIInChI=1S/C14H26N2O3/c1-14(2)3-7-17-9-11-19-12-10-18-8-6-16-5-4-15-13-16/h4-5,13-14H,3,6-12H2,1-2H3
InChIKeyASVQRSRSMRFMSU-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.98
Rot. Bonds12

About 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole

1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole (PubChem CID 176721409) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole
PubChem CID176721409
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole
SMILESCC(C)CCOCCOCCOCCn1ccnc1
InChIInChI=1S/C14H26N2O3/c1-14(2)3-7-17-9-11-19-12-10-18-8-6-16-5-4-15-13-16/h4-5,13-14H,3,6-12H2,1-2H3
InChIKeyASVQRSRSMRFMSU-UHFFFAOYSA-N
XLogP1.98
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
1-[2-(2-propoxyethoxy)ethyl]imidazole
CID 54030122
2-(2-imidazol-1-ylethoxy)-N-methylethanamine
CID 106937829
1-(3,6-dimethylheptyl)imidazole
CID 143241697
1-(7-methyloctyl)imidazole
CID 59001100
3-(2-imidazol-1-ylethoxy)propan-1-amine
CID 106938071
1-(2-methoxyethyl)imidazole
CID 14366840
1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole
CID 40609983
1-(2-prop-2-enoxyethyl)imidazole
CID 141049243
3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 116622737
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
1-[3-(2,2-dimethylpropoxy)propyl]imidazole
CID 166921523

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole?
The IUPAC name of 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole (CID 176721409) is 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole is CC(C)CCOCCOCCOCCn1ccnc1.
What is the InChIKey of 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole?
The InChIKey is ASVQRSRSMRFMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2)3-7-17-9-11-19-12-10-18-8-6-16-5-4-15-13-16/h4-5,13-14H,3,6-12H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole?
1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole has a molecular weight of 270.37 g/mol, XLogP of 1.98, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole is sourced from PubChem (CID 176721409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).