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

C13H19N3 — CID 63833124

IUPAC2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine
SMILESCC(Cc1nc2ccncc2[nH]1)C(C)(C)C
InChIInChI=1S/C13H19N3/c1-9(13(2,3)4)7-12-15-10-5-6-14-8-11(10)16-12/h5-6,8-9H,7H2,1-4H3,(H,15,16)
InChIKeyJNICRMXEFZLGKZ-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.18
Rot. Bonds2

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

2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 63833124) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine
PubChem CID63833124
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine
SMILESCC(Cc1nc2ccncc2[nH]1)C(C)(C)C
InChIInChI=1S/C13H19N3/c1-9(13(2,3)4)7-12-15-10-5-6-14-8-11(10)16-12/h5-6,8-9H,7H2,1-4H3,(H,15,16)
InChIKeyJNICRMXEFZLGKZ-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine (CID 63833124) is 2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine is CC(Cc1nc2ccncc2[nH]1)C(C)(C)C.
What is the InChIKey of 2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is JNICRMXEFZLGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(13(2,3)4)7-12-15-10-5-6-14-8-11(10)16-12/h5-6,8-9H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine?
2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 217.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trimethylbutyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 63833124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).