4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C14H17N3O2 — CID 4713845

IUPAC4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCOc1ccc(C2NCCc3[nH]cnc32)cc1OC
InChIInChI=1S/C14H17N3O2/c1-18-11-4-3-9(7-12(11)19-2)13-14-10(5-6-15-13)16-8-17-14/h3-4,7-8,13,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyBSQOBDOISMSIDT-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.66
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 4713845) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID4713845
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCOc1ccc(C2NCCc3[nH]cnc32)cc1OC
InChIInChI=1S/C14H17N3O2/c1-18-11-4-3-9(7-12(11)19-2)13-14-10(5-6-15-13)16-8-17-14/h3-4,7-8,13,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyBSQOBDOISMSIDT-UHFFFAOYSA-N
XLogP1.66
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 4713845) is 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is COc1ccc(C2NCCc3[nH]cnc32)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is BSQOBDOISMSIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-11-4-3-9(7-12(11)19-2)13-14-10(5-6-15-13)16-8-17-14/h3-4,7-8,13,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 259.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 4713845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).