5-methyl-2-octyl-1H-imidazole;hydrate

C12H24N2O — CID 172776370

IUPAC5-methyl-2-octyl-1H-imidazole;hydrate
SMILESCCCCCCCCc1ncc(C)[nH]1.O
InChIInChI=1S/C12H22N2.H2O/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12;/h10H,3-9H2,1-2H3,(H,13,14);1H2
InChIKeyNQNPSCQAIIUOMU-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.80
Rot. Bonds7

About 5-methyl-2-octyl-1H-imidazole;hydrate

5-methyl-2-octyl-1H-imidazole;hydrate (PubChem CID 172776370) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-methyl-2-octyl-1H-imidazole;hydrate.

Molecular Properties

Compound Name5-methyl-2-octyl-1H-imidazole;hydrate
PubChem CID172776370
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-methyl-2-octyl-1H-imidazole;hydrate
SMILESCCCCCCCCc1ncc(C)[nH]1.O
InChIInChI=1S/C12H22N2.H2O/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12;/h10H,3-9H2,1-2H3,(H,13,14);1H2
InChIKeyNQNPSCQAIIUOMU-UHFFFAOYSA-N
XLogP2.80
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-2-octyl-1H-imidazole;hydrate 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

2-hexyl-5-methyl-1H-imidazole;sulfuric acid
CID 175268220
5-methyl-2-octyl-1H-imidazole;trifluoromethanesulfonic acid
CID 174626345
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
CID 10731390
2-(2-heptadecyl-1H-imidazol-5-yl)ethanol
CID 10617878
2-(2-undecyl-1H-imidazol-5-yl)propanenitrile
CID 161351780
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027
acetic acid;2,5-dihexyl-1H-imidazole
CID 175376233
CID 175233051
CID 175233051
2-butyl-5-propyl-1H-imidazole
CID 68810469
ethyl 5-(5-methyl-1H-imidazol-2-yl)pentanoate
CID 54429069
2-pentyl-1H-imidazole-5-carbaldehyde;hydrochloride
CID 88919910
2-butyl-5-tetradecyl-1H-imidazole;nitric acid
CID 158622630

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-octyl-1H-imidazole;hydrate?
The IUPAC name of 5-methyl-2-octyl-1H-imidazole;hydrate (CID 172776370) is 5-methyl-2-octyl-1H-imidazole;hydrate.
What is the SMILES notation for 5-methyl-2-octyl-1H-imidazole;hydrate?
The canonical SMILES for 5-methyl-2-octyl-1H-imidazole;hydrate is CCCCCCCCc1ncc(C)[nH]1.O.
What is the InChIKey of 5-methyl-2-octyl-1H-imidazole;hydrate?
The InChIKey is NQNPSCQAIIUOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.H2O/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12;/h10H,3-9H2,1-2H3,(H,13,14);1H2.
What are the key properties of 5-methyl-2-octyl-1H-imidazole;hydrate?
5-methyl-2-octyl-1H-imidazole;hydrate has a molecular weight of 212.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-octyl-1H-imidazole;hydrate is sourced from PubChem (CID 172776370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).