[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol

C14H26N2O4 — CID 106717261

IUPAC[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol
SMILESCCCCOCCOCCOCCn1cnc(CO)c1
InChIInChI=1S/C14H26N2O4/c1-2-3-5-18-7-9-20-10-8-19-6-4-16-11-14(12-17)15-13-16/h11,13,17H,2-10,12H2,1H3
InChIKeyMHWCAJDKIVVLBH-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.23
Rot. Bonds13

About [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol

[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol (PubChem CID 106717261) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol
PubChem CID106717261
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol
SMILESCCCCOCCOCCOCCn1cnc(CO)c1
InChIInChI=1S/C14H26N2O4/c1-2-3-5-18-7-9-20-10-8-19-6-4-16-11-14(12-17)15-13-16/h11,13,17H,2-10,12H2,1H3
InChIKeyMHWCAJDKIVVLBH-UHFFFAOYSA-N
XLogP1.23
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]methanol
CID 106717267
(1-pentylimidazol-4-yl)methanol
CID 11147952
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazole-4-carbaldehyde
CID 106716545
4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole
CID 106720892
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730
5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol
CID 106717483
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619
1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718210
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719368
[1-(3,3-dimethylbutyl)imidazol-4-yl]methanol
CID 106717322
N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719077
1-[1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718477

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol?
The IUPAC name of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol (CID 106717261) is [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol.
What is the SMILES notation for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol?
The canonical SMILES for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol is CCCCOCCOCCOCCn1cnc(CO)c1.
What is the InChIKey of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol?
The InChIKey is MHWCAJDKIVVLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-3-5-18-7-9-20-10-8-19-6-4-16-11-14(12-17)15-13-16/h11,13,17H,2-10,12H2,1H3.
What are the key properties of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol?
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol has a molecular weight of 286.37 g/mol, XLogP of 1.23, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol is sourced from PubChem (CID 106717261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).