4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C15H19N3O3 — CID 4573266

IUPAC4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCOc1cc(OC)c(C2NCCc3[nH]cnc32)cc1OC
InChIInChI=1S/C15H19N3O3/c1-19-11-7-13(21-3)12(20-2)6-9(11)14-15-10(4-5-16-14)17-8-18-15/h6-8,14,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyPLGUDKSDYSTKKL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.67
Rot. Bonds4

About 4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 4573266) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID4573266
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCOc1cc(OC)c(C2NCCc3[nH]cnc32)cc1OC
InChIInChI=1S/C15H19N3O3/c1-19-11-7-13(21-3)12(20-2)6-9(11)14-15-10(4-5-16-14)17-8-18-15/h6-8,14,16H,4-5H2,1-3H3,(H,17,18)
InChIKeyPLGUDKSDYSTKKL-UHFFFAOYSA-N
XLogP1.67
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 4573266) is 4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is COc1cc(OC)c(C2NCCc3[nH]cnc32)cc1OC.
What is the InChIKey of 4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is PLGUDKSDYSTKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-11-7-13(21-3)12(20-2)6-9(11)14-15-10(4-5-16-14)17-8-18-15/h6-8,14,16H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 289.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 4573266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).