N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine

C21H17N3O2 — CID 857997

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine
SMILESc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C21H17N3O2/c1-2-6-16(7-3-1)20-21(24-11-5-4-8-19(24)23-20)22-13-15-9-10-17-18(12-15)26-14-25-17/h1-12,22H,13-14H2
InChIKeyYLMZRAUHKCNUIU-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.34
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine

N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine (PubChem CID 857997) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine
PubChem CID857997
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine
SMILESc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C21H17N3O2/c1-2-6-16(7-3-1)20-21(24-11-5-4-8-19(24)23-20)22-13-15-9-10-17-18(12-15)26-14-25-17/h1-12,22H,13-14H2
InChIKeyYLMZRAUHKCNUIU-UHFFFAOYSA-N
XLogP4.34
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine (CID 857997) is N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine is c1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is YLMZRAUHKCNUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-2-6-16(7-3-1)20-21(24-11-5-4-8-19(24)23-20)22-13-15-9-10-17-18(12-15)26-14-25-17/h1-12,22H,13-14H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine?
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 343.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 857997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).