3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine

C19H21N3O — CID 93206543

IUPAC3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESC=C(C)COc1ccc(-c2nc3c(N)c(C)ccn3c2C)cc1
InChIInChI=1S/C19H21N3O/c1-12(2)11-23-16-7-5-15(6-8-16)18-14(4)22-10-9-13(3)17(20)19(22)21-18/h5-10H,1,11,20H2,2-4H3
InChIKeyQTEKNUURXVGSAE-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.16
Rot. Bonds4

About 3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine

3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 93206543) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine
PubChem CID93206543
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESC=C(C)COc1ccc(-c2nc3c(N)c(C)ccn3c2C)cc1
InChIInChI=1S/C19H21N3O/c1-12(2)11-23-16-7-5-15(6-8-16)18-14(4)22-10-9-13(3)17(20)19(22)21-18/h5-10H,1,11,20H2,2-4H3
InChIKeyQTEKNUURXVGSAE-UHFFFAOYSA-N
XLogP4.16
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine (CID 93206543) is 3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine is C=C(C)COc1ccc(-c2nc3c(N)c(C)ccn3c2C)cc1.
What is the InChIKey of 3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine?
The InChIKey is QTEKNUURXVGSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12(2)11-23-16-7-5-15(6-8-16)18-14(4)22-10-9-13(3)17(20)19(22)21-18/h5-10H,1,11,20H2,2-4H3.
What are the key properties of 3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine?
3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 307.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 93206543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).