4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride

C15H21Cl2N3O3 — CID 45371262

IUPAC4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCOc1ccc(C2NCCc3[nH]cnc32)c(OC)c1OC.Cl.Cl
InChIInChI=1S/C15H19N3O3.2ClH/c1-19-11-5-4-9(14(20-2)15(11)21-3)12-13-10(6-7-16-12)17-8-18-13;;/h4-5,8,12,16H,6-7H2,1-3H3,(H,17,18);2*1H
InChIKeyPBFDQPNCPYQLRK-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.51
Rot. Bonds4

About 4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride

4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride (PubChem CID 45371262) has the molecular formula C15H21Cl2N3O3 and a molecular weight of 362.26 g/mol. Its IUPAC name is 4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride
PubChem CID45371262
Molecular FormulaC15H21Cl2N3O3
Molecular Weight362.26 g/mol
Exact Mass361.10
IUPAC Name4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride
SMILESCOc1ccc(C2NCCc3[nH]cnc32)c(OC)c1OC.Cl.Cl
InChIInChI=1S/C15H19N3O3.2ClH/c1-19-11-5-4-9(14(20-2)15(11)21-3)12-13-10(6-7-16-12)17-8-18-13;;/h4-5,8,12,16H,6-7H2,1-3H3,(H,17,18);2*1H
InChIKeyPBFDQPNCPYQLRK-UHFFFAOYSA-N
XLogP2.51
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride (CID 45371262) is 4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride is COc1ccc(C2NCCc3[nH]cnc32)c(OC)c1OC.Cl.Cl.
What is the InChIKey of 4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride?
The InChIKey is PBFDQPNCPYQLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.2ClH/c1-19-11-5-4-9(14(20-2)15(11)21-3)12-13-10(6-7-16-12)17-8-18-13;;/h4-5,8,12,16H,6-7H2,1-3H3,(H,17,18);2*1H.
What are the key properties of 4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride?
4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride has a molecular weight of 362.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 45371262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).