1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole

C16H28N4O2 — CID 159659272

IUPAC1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole
SMILESCCCCOCC(O)Cn1cc(C)nc1CC.c1c[nH]cn1
InChIInChI=1S/C13H24N2O2.C3H4N2/c1-4-6-7-17-10-12(16)9-15-8-11(3)14-13(15)5-2;1-2-5-3-4-1/h8,12,16H,4-7,9-10H2,1-3H3;1-3H,(H,4,5)
InChIKeyMSOYDPYCMYIHEG-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.34
Rot. Bonds8

About 1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole

1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole (PubChem CID 159659272) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole.

Molecular Properties

Compound Name1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole
PubChem CID159659272
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole
SMILESCCCCOCC(O)Cn1cc(C)nc1CC.c1c[nH]cn1
InChIInChI=1S/C13H24N2O2.C3H4N2/c1-4-6-7-17-10-12(16)9-15-8-11(3)14-13(15)5-2;1-2-5-3-4-1/h8,12,16H,4-7,9-10H2,1-3H3;1-3H,(H,4,5)
InChIKeyMSOYDPYCMYIHEG-UHFFFAOYSA-N
XLogP2.34
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-ethyl-4-methylimidazol-1-yl)propoxy]butan-2-ol
CID 126645258
(2-ethyl-4-methylimidazol-1-yl)methanamine
CID 141279094
butyl formate;1H-imidazole
CID 175286553
1-(3-butoxy-2-hydroxypropyl)triazole-4-carboxylic acid
CID 107264347
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561
(2R)-1-butoxybutan-2-ol
CID 27255938
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1H-imidazole;propyl hydrogen carbonate
CID 174563055
1-butoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 107264136
(2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol
CID 2053269
1-butoxy-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 107264004

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole?
The IUPAC name of 1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole (CID 159659272) is 1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole.
What is the SMILES notation for 1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole?
The canonical SMILES for 1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole is CCCCOCC(O)Cn1cc(C)nc1CC.c1c[nH]cn1.
What is the InChIKey of 1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole?
The InChIKey is MSOYDPYCMYIHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.C3H4N2/c1-4-6-7-17-10-12(16)9-15-8-11(3)14-13(15)5-2;1-2-5-3-4-1/h8,12,16H,4-7,9-10H2,1-3H3;1-3H,(H,4,5).
What are the key properties of 1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole?
1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole has a molecular weight of 308.43 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(2-ethyl-4-methylimidazol-1-yl)propan-2-ol;1H-imidazole is sourced from PubChem (CID 159659272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).