7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine

C11H15N3 — CID 130455584

IUPAC7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)Cc1cncc2[nH]cnc12
InChIInChI=1S/C11H15N3/c1-11(2,3)4-8-5-12-6-9-10(8)14-7-13-9/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyNKYYITGNGABECH-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds1

About 7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine

7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 130455584) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine
PubChem CID130455584
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)Cc1cncc2[nH]cnc12
InChIInChI=1S/C11H15N3/c1-11(2,3)4-8-5-12-6-9-10(8)14-7-13-9/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyNKYYITGNGABECH-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine (CID 130455584) is 7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine is CC(C)(C)Cc1cncc2[nH]cnc12.
What is the InChIKey of 7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is NKYYITGNGABECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-11(2,3)4-8-5-12-6-9-10(8)14-7-13-9/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine?
7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 189.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 130455584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).