ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate

C14H22N2O2 — CID 66678151

IUPACethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)C1CCn2cc(C(C)(C)C)nc2C1
InChIInChI=1S/C14H22N2O2/c1-5-18-13(17)10-6-7-16-9-11(14(2,3)4)15-12(16)8-10/h9-10H,5-8H2,1-4H3
InChIKeyIOAHFSFUHQBREP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.31
Rot. Bonds2

About ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate

ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 66678151) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID66678151
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)C1CCn2cc(C(C)(C)C)nc2C1
InChIInChI=1S/C14H22N2O2/c1-5-18-13(17)10-6-7-16-9-11(14(2,3)4)15-12(16)8-10/h9-10H,5-8H2,1-4H3
InChIKeyIOAHFSFUHQBREP-UHFFFAOYSA-N
XLogP2.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate (CID 66678151) is ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate is CCOC(=O)C1CCn2cc(C(C)(C)C)nc2C1.
What is the InChIKey of ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is IOAHFSFUHQBREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-13(17)10-6-7-16-9-11(14(2,3)4)15-12(16)8-10/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate?
ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 66678151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).