1,2-dimethyl-3-propyl-2H-imidazole;hydrate

C8H18N2O — CID 172840578

IUPAC1,2-dimethyl-3-propyl-2H-imidazole;hydrate
SMILESCCCN1C=CN(C)C1C.O
InChIInChI=1S/C8H16N2.H2O/c1-4-5-10-7-6-9(3)8(10)2;/h6-8H,4-5H2,1-3H3;1H2
InChIKeyWSUYTRCVJSELDE-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.64
Rot. Bonds2

About 1,2-dimethyl-3-propyl-2H-imidazole;hydrate

1,2-dimethyl-3-propyl-2H-imidazole;hydrate (PubChem CID 172840578) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,2-dimethyl-3-propyl-2H-imidazole;hydrate.

Molecular Properties

Compound Name1,2-dimethyl-3-propyl-2H-imidazole;hydrate
PubChem CID172840578
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1,2-dimethyl-3-propyl-2H-imidazole;hydrate
SMILESCCCN1C=CN(C)C1C.O
InChIInChI=1S/C8H16N2.H2O/c1-4-5-10-7-6-9(3)8(10)2;/h6-8H,4-5H2,1-3H3;1H2
InChIKeyWSUYTRCVJSELDE-UHFFFAOYSA-N
XLogP0.64
TPSA37.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;1,2-dimethyl-3-propyl-2H-imidazole
CID 175284905
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-[2-[2-(2,3-dimethyl-2H-imidazol-1-yl)ethoxy]ethyl]-2,3-dimethyl-2H-imidazole
CID 71268064
1-hexadecyl-2,3-dimethyl-2H-imidazole tetrafluoroborate
CID 174775383
1-(ethoxymethyl)-2,3-dimethyl-2H-imidazole
CID 22044294
1,2-dimethyl-3-propyl-2H-imidazole;bis(1-ethyl-3-propan-2-ylimidazol-1-ium);diiodide
CID 161080795
1-decyl-2,3-dimethyl-2H-imidazole;methanesulfonic acid
CID 175868504
1-butyl-2,3-dimethyl-2H-imidazole;1H-imidazole;hydrobromide
CID 175131587
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol chloride
CID 158745308
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-propyl-2H-imidazole;hydrate?
The IUPAC name of 1,2-dimethyl-3-propyl-2H-imidazole;hydrate (CID 172840578) is 1,2-dimethyl-3-propyl-2H-imidazole;hydrate.
What is the SMILES notation for 1,2-dimethyl-3-propyl-2H-imidazole;hydrate?
The canonical SMILES for 1,2-dimethyl-3-propyl-2H-imidazole;hydrate is CCCN1C=CN(C)C1C.O.
What is the InChIKey of 1,2-dimethyl-3-propyl-2H-imidazole;hydrate?
The InChIKey is WSUYTRCVJSELDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.H2O/c1-4-5-10-7-6-9(3)8(10)2;/h6-8H,4-5H2,1-3H3;1H2.
What are the key properties of 1,2-dimethyl-3-propyl-2H-imidazole;hydrate?
1,2-dimethyl-3-propyl-2H-imidazole;hydrate has a molecular weight of 158.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-propyl-2H-imidazole;hydrate is sourced from PubChem (CID 172840578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).