2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine

C26H25N3 — CID 71460062

IUPAC2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCCNc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12
InChIInChI=1S/C26H25N3/c1-2-3-9-16-27-26-25(28-23-15-8-10-17-29(23)26)24-21-13-6-4-11-19(21)18-20-12-5-7-14-22(20)24/h4-8,10-15,17-18,27H,2-3,9,16H2,1H3
InChIKeyRZXMWXPZRVKDJA-UHFFFAOYSA-N
MW379.51 g/mol
LogP6.91
Rot. Bonds6

About 2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine

2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine (PubChem CID 71460062) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine
PubChem CID71460062
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCCNc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12
InChIInChI=1S/C26H25N3/c1-2-3-9-16-27-26-25(28-23-15-8-10-17-29(23)26)24-21-13-6-4-11-19(21)18-20-12-5-7-14-22(20)24/h4-8,10-15,17-18,27H,2-3,9,16H2,1H3
InChIKeyRZXMWXPZRVKDJA-UHFFFAOYSA-N
XLogP6.91
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine (CID 71460062) is 2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine is CCCCCNc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12.
What is the InChIKey of 2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is RZXMWXPZRVKDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-2-3-9-16-27-26-25(28-23-15-8-10-17-29(23)26)24-21-13-6-4-11-19(21)18-20-12-5-7-14-22(20)24/h4-8,10-15,17-18,27H,2-3,9,16H2,1H3.
What are the key properties of 2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine?
2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 379.51 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 71460062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).