4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C12H17N5 — CID 50978699

IUPAC4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCc1nc(C2NCCc3[nH]cnc32)c(C)[nH]1
InChIInChI=1S/C12H17N5/c1-3-9-16-7(2)10(17-9)12-11-8(4-5-13-12)14-6-15-11/h6,12-13H,3-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZOVYWVLOLDGRHI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.24
Rot. Bonds2

About 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 50978699) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID50978699
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCc1nc(C2NCCc3[nH]cnc32)c(C)[nH]1
InChIInChI=1S/C12H17N5/c1-3-9-16-7(2)10(17-9)12-11-8(4-5-13-12)14-6-15-11/h6,12-13H,3-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZOVYWVLOLDGRHI-UHFFFAOYSA-N
XLogP1.24
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-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-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 50978699) is 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is CCc1nc(C2NCCc3[nH]cnc32)c(C)[nH]1.
What is the InChIKey of 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is ZOVYWVLOLDGRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-9-16-7(2)10(17-9)12-11-8(4-5-13-12)14-6-15-11/h6,12-13H,3-5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 231.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 50978699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).