2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid

C14H24N2O3 — CID 139592818

IUPAC2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid
SMILESCC1=C(C)N(CC2(CC(=O)O)CCCCC2)CN1O
InChIInChI=1S/C14H24N2O3/c1-11-12(2)16(19)10-15(11)9-14(8-13(17)18)6-4-3-5-7-14/h19H,3-10H2,1-2H3,(H,17,18)
InChIKeyVDJOGIFGUZNSHH-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.63
Rot. Bonds4

About 2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid

2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid (PubChem CID 139592818) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid
PubChem CID139592818
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid
SMILESCC1=C(C)N(CC2(CC(=O)O)CCCCC2)CN1O
InChIInChI=1S/C14H24N2O3/c1-11-12(2)16(19)10-15(11)9-14(8-13(17)18)6-4-3-5-7-14/h19H,3-10H2,1-2H3,(H,17,18)
InChIKeyVDJOGIFGUZNSHH-UHFFFAOYSA-N
XLogP2.63
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid (CID 139592818) is 2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid is CC1=C(C)N(CC2(CC(=O)O)CCCCC2)CN1O.
What is the InChIKey of 2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid?
The InChIKey is VDJOGIFGUZNSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-12(2)16(19)10-15(11)9-14(8-13(17)18)6-4-3-5-7-14/h19H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid?
2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-hydroxy-4,5-dimethyl-2H-imidazol-1-yl)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 139592818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).