1-(3-ethylpentan-2-yl)imidazole

C10H18N2 — CID 174620112

IUPAC1-(3-ethylpentan-2-yl)imidazole
SMILESCCC(CC)C(C)n1ccnc1
InChIInChI=1S/C10H18N2/c1-4-10(5-2)9(3)12-7-6-11-8-12/h6-10H,4-5H2,1-3H3
InChIKeyGUVFTEKZWRISIZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.88
Rot. Bonds4

About 1-(3-ethylpentan-2-yl)imidazole

1-(3-ethylpentan-2-yl)imidazole (PubChem CID 174620112) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(3-ethylpentan-2-yl)imidazole.

Molecular Properties

Compound Name1-(3-ethylpentan-2-yl)imidazole
PubChem CID174620112
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(3-ethylpentan-2-yl)imidazole
SMILESCCC(CC)C(C)n1ccnc1
InChIInChI=1S/C10H18N2/c1-4-10(5-2)9(3)12-7-6-11-8-12/h6-10H,4-5H2,1-3H3
InChIKeyGUVFTEKZWRISIZ-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-imidazol-1-yl-2-methylbutan-1-ol
CID 175456852
5-imidazol-1-ylhexan-3-amine
CID 122542899
1-hexan-3-ylimidazole
CID 54145075
1-(1-chloroethyl)imidazole
CID 22400425
ethane;methane;1-propan-2-ylimidazole
CID 159501500
1-imidazol-1-ylethanol
CID 18366448
1-(4-methylhex-1-en-3-yl)imidazole
CID 174521319
1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524
2-imidazol-1-yl-N-(2-methylpropyl)butan-1-amine
CID 62448325
1-(1-propoxyethyl)imidazole
CID 174521679
1-pent-1-en-3-ylimidazole;hydrochloride
CID 175258321
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-2-yl)imidazole?
The IUPAC name of 1-(3-ethylpentan-2-yl)imidazole (CID 174620112) is 1-(3-ethylpentan-2-yl)imidazole.
What is the SMILES notation for 1-(3-ethylpentan-2-yl)imidazole?
The canonical SMILES for 1-(3-ethylpentan-2-yl)imidazole is CCC(CC)C(C)n1ccnc1.
What is the InChIKey of 1-(3-ethylpentan-2-yl)imidazole?
The InChIKey is GUVFTEKZWRISIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-10(5-2)9(3)12-7-6-11-8-12/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-(3-ethylpentan-2-yl)imidazole?
1-(3-ethylpentan-2-yl)imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-2-yl)imidazole is sourced from PubChem (CID 174620112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).