formic acid;1-octan-2-ylimidazole

C12H22N2O2 — CID 175596795

IUPACformic acid;1-octan-2-ylimidazole
SMILESCCCCCCC(C)n1ccnc1.O=CO
InChIInChI=1S/C11H20N2.CH2O2/c1-3-4-5-6-7-11(2)13-9-8-12-10-13;2-1-3/h8-11H,3-7H2,1-2H3;1H,(H,2,3)
InChIKeyZHXGXCIQZSFIHK-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.12
Rot. Bonds6

About formic acid;1-octan-2-ylimidazole

formic acid;1-octan-2-ylimidazole (PubChem CID 175596795) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is formic acid;1-octan-2-ylimidazole.

Molecular Properties

Compound Nameformic acid;1-octan-2-ylimidazole
PubChem CID175596795
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameformic acid;1-octan-2-ylimidazole
SMILESCCCCCCC(C)n1ccnc1.O=CO
InChIInChI=1S/C11H20N2.CH2O2/c1-3-4-5-6-7-11(2)13-9-8-12-10-13;2-1-3/h8-11H,3-7H2,1-2H3;1H,(H,2,3)
InChIKeyZHXGXCIQZSFIHK-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze formic acid;1-octan-2-ylimidazole 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

carbonic acid;1-nonan-2-ylimidazole
CID 175092771
fluoromethane;1-heptan-2-ylimidazole
CID 174715360
2-imidazol-1-yltridecanoic acid
CID 69479791
1-docosan-5-ylimidazole
CID 135305816
1-octadecan-4-ylimidazole
CID 174516132
3-imidazol-1-yldodecan-1-ol
CID 174685778
10-imidazol-1-yloctadecanoic acid
CID 86691655
1-(6,10-dimethylundecan-2-yl)imidazole
CID 20528534
4-imidazol-1-yl-N-methylpentan-1-amine
CID 62446813
1-(5-imidazol-1-ylpentan-2-yl)imidazole
CID 174937181
dodecyl 2-imidazol-1-ylpropanoate
CID 10063901
[6-[[6-(2-hexyldecanoyloxy)-2-hydroxyhexyl]-(2-imidazol-1-ylpropyl)amino]-5-hydroxyhexyl] 2-hexyldecanoate
CID 176870516

Frequently Asked Questions

What is the IUPAC name of formic acid;1-octan-2-ylimidazole?
The IUPAC name of formic acid;1-octan-2-ylimidazole (CID 175596795) is formic acid;1-octan-2-ylimidazole.
What is the SMILES notation for formic acid;1-octan-2-ylimidazole?
The canonical SMILES for formic acid;1-octan-2-ylimidazole is CCCCCCC(C)n1ccnc1.O=CO.
What is the InChIKey of formic acid;1-octan-2-ylimidazole?
The InChIKey is ZHXGXCIQZSFIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.CH2O2/c1-3-4-5-6-7-11(2)13-9-8-12-10-13;2-1-3/h8-11H,3-7H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;1-octan-2-ylimidazole?
formic acid;1-octan-2-ylimidazole has a molecular weight of 226.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-octan-2-ylimidazole is sourced from PubChem (CID 175596795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).