ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate

C15H17N3O2 — CID 90408600

IUPACethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
SMILESCCOC(=O)C1NCCc2c1ncn2-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-20-15(19)14-13-12(8-9-16-14)18(10-17-13)11-6-4-3-5-7-11/h3-7,10,14,16H,2,8-9H2,1H3
InChIKeyONQYUYKFMAGQNF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.62
Rot. Bonds3

About ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate

ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate (PubChem CID 90408600) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
PubChem CID90408600
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
SMILESCCOC(=O)C1NCCc2c1ncn2-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-20-15(19)14-13-12(8-9-16-14)18(10-17-13)11-6-4-3-5-7-11/h3-7,10,14,16H,2,8-9H2,1H3
InChIKeyONQYUYKFMAGQNF-UHFFFAOYSA-N
XLogP1.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate?
The IUPAC name of ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate (CID 90408600) is ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate is CCOC(=O)C1NCCc2c1ncn2-c1ccccc1.
What is the InChIKey of ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate?
The InChIKey is ONQYUYKFMAGQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-15(19)14-13-12(8-9-16-14)18(10-17-13)11-6-4-3-5-7-11/h3-7,10,14,16H,2,8-9H2,1H3.
What are the key properties of ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate?
ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate is sourced from PubChem (CID 90408600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).