2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

C29H30ClN3 — CID 71461780

IUPAC2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2c3ccccc3c(Cl)c3ccccc23)nc2ccccn12
InChIInChI=1S/C29H30ClN3/c1-28(2,3)18-29(4,5)32-27-26(31-23-16-10-11-17-33(23)27)24-19-12-6-8-14-21(19)25(30)22-15-9-7-13-20(22)24/h6-17,32H,18H2,1-5H3
InChIKeyKAFJFGXTSREWPL-UHFFFAOYSA-N
MW456.03 g/mol
LogP8.59
Rot. Bonds4

About 2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 71461780) has the molecular formula C29H30ClN3 and a molecular weight of 456.03 g/mol. Its IUPAC name is 2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID71461780
Molecular FormulaC29H30ClN3
Molecular Weight456.03 g/mol
Exact Mass455.21
IUPAC Name2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2c3ccccc3c(Cl)c3ccccc23)nc2ccccn12
InChIInChI=1S/C29H30ClN3/c1-28(2,3)18-29(4,5)32-27-26(31-23-16-10-11-17-33(23)27)24-19-12-6-8-14-21(19)25(30)22-15-9-7-13-20(22)24/h6-17,32H,18H2,1-5H3
InChIKeyKAFJFGXTSREWPL-UHFFFAOYSA-N
XLogP8.59
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.03
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 71461780) is 2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is CC(C)(C)CC(C)(C)Nc1c(-c2c3ccccc3c(Cl)c3ccccc23)nc2ccccn12.
What is the InChIKey of 2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is KAFJFGXTSREWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3/c1-28(2,3)18-29(4,5)32-27-26(31-23-16-10-11-17-33(23)27)24-19-12-6-8-14-21(19)25(30)22-15-9-7-13-20(22)24/h6-17,32H,18H2,1-5H3.
What are the key properties of 2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 456.03 g/mol, XLogP of 8.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 71461780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).