5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C16H17N5 — CID 165419594

IUPAC5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(C2CN(Cc3cnc[nH]3)Cc3[nH]cnc32)cc1
InChIInChI=1S/C16H17N5/c1-2-4-12(5-3-1)14-8-21(7-13-6-17-10-18-13)9-15-16(14)20-11-19-15/h1-6,10-11,14H,7-9H2,(H,17,18)(H,19,20)
InChIKeyHLDHUPZUDIYKIK-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.28
Rot. Bonds3

About 5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 165419594) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID165419594
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(C2CN(Cc3cnc[nH]3)Cc3[nH]cnc32)cc1
InChIInChI=1S/C16H17N5/c1-2-4-12(5-3-1)14-8-21(7-13-6-17-10-18-13)9-15-16(14)20-11-19-15/h1-6,10-11,14H,7-9H2,(H,17,18)(H,19,20)
InChIKeyHLDHUPZUDIYKIK-UHFFFAOYSA-N
XLogP2.28
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[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 5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 165419594) is 5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1ccc(C2CN(Cc3cnc[nH]3)Cc3[nH]cnc32)cc1.
What is the InChIKey of 5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is HLDHUPZUDIYKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-4-12(5-3-1)14-8-21(7-13-6-17-10-18-13)9-15-16(14)20-11-19-15/h1-6,10-11,14H,7-9H2,(H,17,18)(H,19,20).
What are the key properties of 5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 279.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-ylmethyl)-7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 165419594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).