2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide

C16H33BrN2O2 — CID 174899362

IUPAC2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide
SMILESBr.CC(C)(CO)CO.CCCCc1cnc(CCCC)[nH]1
InChIInChI=1S/C11H20N2.C5H12O2.BrH/c1-3-5-7-10-9-12-11(13-10)8-6-4-2;1-5(2,3-6)4-7;/h9H,3-8H2,1-2H3,(H,12,13);6-7H,3-4H2,1-2H3;1H
InChIKeyASCQIVKXAQEBNG-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.67
Rot. Bonds8

About 2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide

2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide (PubChem CID 174899362) has the molecular formula C16H33BrN2O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide.

Molecular Properties

Compound Name2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide
PubChem CID174899362
Molecular FormulaC16H33BrN2O2
Molecular Weight365.36 g/mol
Exact Mass364.17
IUPAC Name2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide
SMILESBr.CC(C)(CO)CO.CCCCc1cnc(CCCC)[nH]1
InChIInChI=1S/C11H20N2.C5H12O2.BrH/c1-3-5-7-10-9-12-11(13-10)8-6-4-2;1-5(2,3-6)4-7;/h9H,3-8H2,1-2H3,(H,12,13);6-7H,3-4H2,1-2H3;1H
InChIKeyASCQIVKXAQEBNG-UHFFFAOYSA-N
XLogP3.67
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide?
The IUPAC name of 2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide (CID 174899362) is 2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide.
What is the SMILES notation for 2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide?
The canonical SMILES for 2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide is Br.CC(C)(CO)CO.CCCCc1cnc(CCCC)[nH]1.
What is the InChIKey of 2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide?
The InChIKey is ASCQIVKXAQEBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C5H12O2.BrH/c1-3-5-7-10-9-12-11(13-10)8-6-4-2;1-5(2,3-6)4-7;/h9H,3-8H2,1-2H3,(H,12,13);6-7H,3-4H2,1-2H3;1H.
What are the key properties of 2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide?
2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide has a molecular weight of 365.36 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-1H-imidazole;2,2-dimethylpropane-1,3-diol;hydrobromide is sourced from PubChem (CID 174899362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).