N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline

C17H19N3O — CID 43123163

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCc2cn3ccccc3n2)cc1
InChIInChI=1S/C17H19N3O/c1-13(2)21-16-8-6-14(7-9-16)18-11-15-12-20-10-4-3-5-17(20)19-15/h3-10,12-13,18H,11H2,1-2H3
InChIKeyMSVTYWPJXLWGTP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.73
Rot. Bonds5

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline (PubChem CID 43123163) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline
PubChem CID43123163
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCc2cn3ccccc3n2)cc1
InChIInChI=1S/C17H19N3O/c1-13(2)21-16-8-6-14(7-9-16)18-11-15-12-20-10-4-3-5-17(20)19-15/h3-10,12-13,18H,11H2,1-2H3
InChIKeyMSVTYWPJXLWGTP-UHFFFAOYSA-N
XLogP3.73
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111466942
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 759208
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
N-(imidazo[1,2-a]pyridin-2-ylmethyl)naphthalen-2-amine
CID 43400804
butyl 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)benzoate
CID 78815706
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline
CID 55118825
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 4701924
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline
CID 43179471
1-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylbutan-2-amine
CID 103271206
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
CID 61469725
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 65049447

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline (CID 43123163) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline is CC(C)Oc1ccc(NCc2cn3ccccc3n2)cc1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline?
The InChIKey is MSVTYWPJXLWGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(2)21-16-8-6-14(7-9-16)18-11-15-12-20-10-4-3-5-17(20)19-15/h3-10,12-13,18H,11H2,1-2H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline has a molecular weight of 281.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 43123163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).