acetic acid;1,2-dimethyl-3-propyl-2H-imidazole

C10H20N2O2 — CID 175284905

IUPACacetic acid;1,2-dimethyl-3-propyl-2H-imidazole
SMILESCC(=O)O.CCCN1C=CN(C)C1C
InChIInChI=1S/C8H16N2.C2H4O2/c1-4-5-10-7-6-9(3)8(10)2;1-2(3)4/h6-8H,4-5H2,1-3H3;1H3,(H,3,4)
InChIKeyWKKMCPJMWKAGRG-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.55
Rot. Bonds2

About acetic acid;1,2-dimethyl-3-propyl-2H-imidazole

acetic acid;1,2-dimethyl-3-propyl-2H-imidazole (PubChem CID 175284905) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is acetic acid;1,2-dimethyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Nameacetic acid;1,2-dimethyl-3-propyl-2H-imidazole
PubChem CID175284905
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameacetic acid;1,2-dimethyl-3-propyl-2H-imidazole
SMILESCC(=O)O.CCCN1C=CN(C)C1C
InChIInChI=1S/C8H16N2.C2H4O2/c1-4-5-10-7-6-9(3)8(10)2;1-2(3)4/h6-8H,4-5H2,1-3H3;1H3,(H,3,4)
InChIKeyWKKMCPJMWKAGRG-UHFFFAOYSA-N
XLogP1.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze acetic acid;1,2-dimethyl-3-propyl-2H-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

1,2-dimethyl-3-propyl-2H-imidazole;hydrate
CID 172840578
1-dodecyl-2,3-dimethyl-2H-imidazole
CID 68900702
1,2-dimethyl-3-undecyl-2H-imidazole
CID 69386948
1,2-dimethyl-3-pentadecyl-2H-imidazole
CID 69388793
1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid
CID 175868504
1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate
CID 174775383
1-[2-[2-(2,3-dimethyl-2H-imidazol-1-yl)ethoxy]ethyl]-2,3-dimethyl-2H-imidazole
CID 71268064
1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide
CID 161080795
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,2-dimethyl-3-propyl-2H-imidazole?
The IUPAC name of acetic acid;1,2-dimethyl-3-propyl-2H-imidazole (CID 175284905) is acetic acid;1,2-dimethyl-3-propyl-2H-imidazole.
What is the SMILES notation for acetic acid;1,2-dimethyl-3-propyl-2H-imidazole?
The canonical SMILES for acetic acid;1,2-dimethyl-3-propyl-2H-imidazole is CC(=O)O.CCCN1C=CN(C)C1C.
What is the InChIKey of acetic acid;1,2-dimethyl-3-propyl-2H-imidazole?
The InChIKey is WKKMCPJMWKAGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C2H4O2/c1-4-5-10-7-6-9(3)8(10)2;1-2(3)4/h6-8H,4-5H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;1,2-dimethyl-3-propyl-2H-imidazole?
acetic acid;1,2-dimethyl-3-propyl-2H-imidazole has a molecular weight of 200.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,2-dimethyl-3-propyl-2H-imidazole is sourced from PubChem (CID 175284905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).