N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine

C23H24ClN3 — CID 45255946

IUPACN-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESClc1ccccc1-c1nc2ccccn2c1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H24ClN3/c24-19-6-2-1-5-18(19)21-22(27-8-4-3-7-20(27)25-21)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,26H,9-14H2
InChIKeyVIIULHCXWJBYCR-UHFFFAOYSA-N
MW377.92 g/mol
LogP6.04
Rot. Bonds3

About N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine

N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 45255946) has the molecular formula C23H24ClN3 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID45255946
Molecular FormulaC23H24ClN3
Molecular Weight377.92 g/mol
Exact Mass377.17
IUPAC NameN-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESClc1ccccc1-c1nc2ccccn2c1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H24ClN3/c24-19-6-2-1-5-18(19)21-22(27-8-4-3-7-20(27)25-21)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,26H,9-14H2
InChIKeyVIIULHCXWJBYCR-UHFFFAOYSA-N
XLogP6.04
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine (CID 45255946) is N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine is Clc1ccccc1-c1nc2ccccn2c1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is VIIULHCXWJBYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3/c24-19-6-2-1-5-18(19)21-22(27-8-4-3-7-20(27)25-21)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,26H,9-14H2.
What are the key properties of N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine?
N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 377.92 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2-chlorophenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 45255946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).