6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid

C11H18N2O2 — CID 70485343

IUPAC6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid
SMILESCC(C)(CCCc1cnc[nH]1)CC(=O)O
InChIInChI=1S/C11H18N2O2/c1-11(2,6-10(14)15)5-3-4-9-7-12-8-13-9/h7-8H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyXVOFNWROQOYFIH-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.23
Rot. Bonds6

About 6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid

6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid (PubChem CID 70485343) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid.

Molecular Properties

Compound Name6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid
PubChem CID70485343
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid
SMILESCC(C)(CCCc1cnc[nH]1)CC(=O)O
InChIInChI=1S/C11H18N2O2/c1-11(2,6-10(14)15)5-3-4-9-7-12-8-13-9/h7-8H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyXVOFNWROQOYFIH-UHFFFAOYSA-N
XLogP2.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-hydroxy-4-(1H-imidazol-5-yl)-1-phosphonobutyl]phosphonic acid
CID 21284768
3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 65231716
10-(1H-imidazol-5-yl)decan-2-one
CID 170211337
5-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 129303291
4-[2-(1H-imidazol-5-yl)ethylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 65232349
hydroxy-[4-(1H-imidazol-5-yl)-2-methylbutan-2-yl]-dimethylsilane
CID 71167987
2-[3-(1H-imidazol-5-yl)propoxy]acetic acid;hydrochloride
CID 19766310
methyl 6-(1H-imidazol-5-yl)hexanoate
CID 151564733
5-hexyl-1H-imidazole
CID 14225142
2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole
CID 167606490
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid?
The IUPAC name of 6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid (CID 70485343) is 6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid.
What is the SMILES notation for 6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid?
The canonical SMILES for 6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid is CC(C)(CCCc1cnc[nH]1)CC(=O)O.
What is the InChIKey of 6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid?
The InChIKey is XVOFNWROQOYFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,6-10(14)15)5-3-4-9-7-12-8-13-9/h7-8H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid?
6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid has a molecular weight of 210.28 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-5-yl)-3,3-dimethylhexanoic acid is sourced from PubChem (CID 70485343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).