7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine

C14H18N2O — CID 117133889

IUPAC7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(CC3CCOCC3)nc2c1
InChIInChI=1S/C14H18N2O/c1-11-2-5-16-10-13(15-14(16)8-11)9-12-3-6-17-7-4-12/h2,5,8,10,12H,3-4,6-7,9H2,1H3
InChIKeyLAGRNUHPPQUVNL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.61
Rot. Bonds2

About 7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine

7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 117133889) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID117133889
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(CC3CCOCC3)nc2c1
InChIInChI=1S/C14H18N2O/c1-11-2-5-16-10-13(15-14(16)8-11)9-12-3-6-17-7-4-12/h2,5,8,10,12H,3-4,6-7,9H2,1H3
InChIKeyLAGRNUHPPQUVNL-UHFFFAOYSA-N
XLogP2.61
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine (CID 117133889) is 7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine is Cc1ccn2cc(CC3CCOCC3)nc2c1.
What is the InChIKey of 7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is LAGRNUHPPQUVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-2-5-16-10-13(15-14(16)8-11)9-12-3-6-17-7-4-12/h2,5,8,10,12H,3-4,6-7,9H2,1H3.
What are the key properties of 7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine?
7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 230.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117133889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).