6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid

C14H21N3O2 — CID 70374418

IUPAC6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid
SMILESCC1(C)Nc2ccncc2N1CCCCCC(=O)O
InChIInChI=1S/C14H21N3O2/c1-14(2)16-11-7-8-15-10-12(11)17(14)9-5-3-4-6-13(18)19/h7-8,10,16H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyOIZDEWCUWMVEBU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.69
Rot. Bonds6

About 6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid

6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid (PubChem CID 70374418) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid
PubChem CID70374418
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid
SMILESCC1(C)Nc2ccncc2N1CCCCCC(=O)O
InChIInChI=1S/C14H21N3O2/c1-14(2)16-11-7-8-15-10-12(11)17(14)9-5-3-4-6-13(18)19/h7-8,10,16H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyOIZDEWCUWMVEBU-UHFFFAOYSA-N
XLogP2.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid?
The IUPAC name of 6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid (CID 70374418) is 6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid.
What is the SMILES notation for 6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid?
The canonical SMILES for 6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid is CC1(C)Nc2ccncc2N1CCCCCC(=O)O.
What is the InChIKey of 6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid?
The InChIKey is OIZDEWCUWMVEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2)16-11-7-8-15-10-12(11)17(14)9-5-3-4-6-13(18)19/h7-8,10,16H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid?
6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethyl-1H-imidazo[4,5-c]pyridin-3-yl)hexanoic acid is sourced from PubChem (CID 70374418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).