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

C15H15N3O3 — CID 13175358

IUPAC2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(-c2nc3ccncc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C15H15N3O3/c1-19-12-6-9(7-13(20-2)14(12)21-3)15-17-10-4-5-16-8-11(10)18-15/h4-8H,1-3H3,(H,17,18)
InChIKeyKNGJZZLQLLTSHQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.65
Rot. Bonds4

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

2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 13175358) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID13175358
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(-c2nc3ccncc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C15H15N3O3/c1-19-12-6-9(7-13(20-2)14(12)21-3)15-17-10-4-5-16-8-11(10)18-15/h4-8H,1-3H3,(H,17,18)
InChIKeyKNGJZZLQLLTSHQ-UHFFFAOYSA-N
XLogP2.65
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine (CID 13175358) is 2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine is COc1cc(-c2nc3ccncc3[nH]2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is KNGJZZLQLLTSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-19-12-6-9(7-13(20-2)14(12)21-3)15-17-10-4-5-16-8-11(10)18-15/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine?
2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 285.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 13175358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).