2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

C22H28ClN3 — CID 5149693

IUPAC2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3ccccc3Cl)c(NC(C)(C)CC(C)(C)C)n12
InChIInChI=1S/C22H28ClN3/c1-15-10-9-13-18-24-19(16-11-7-8-12-17(16)23)20(26(15)18)25-22(5,6)14-21(2,3)4/h7-13,25H,14H2,1-6H3
InChIKeyNFKKGEZNITZQNM-UHFFFAOYSA-N
MW369.94 g/mol
LogP6.59
Rot. Bonds4

About 2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 5149693) has the molecular formula C22H28ClN3 and a molecular weight of 369.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID5149693
Molecular FormulaC22H28ClN3
Molecular Weight369.94 g/mol
Exact Mass369.20
IUPAC Name2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3ccccc3Cl)c(NC(C)(C)CC(C)(C)C)n12
InChIInChI=1S/C22H28ClN3/c1-15-10-9-13-18-24-19(16-11-7-8-12-17(16)23)20(26(15)18)25-22(5,6)14-21(2,3)4/h7-13,25H,14H2,1-6H3
InChIKeyNFKKGEZNITZQNM-UHFFFAOYSA-N
XLogP6.59
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.94
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 5149693) is 2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1cccc2nc(-c3ccccc3Cl)c(NC(C)(C)CC(C)(C)C)n12.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is NFKKGEZNITZQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3/c1-15-10-9-13-18-24-19(16-11-7-8-12-17(16)23)20(26(15)18)25-22(5,6)14-21(2,3)4/h7-13,25H,14H2,1-6H3.
What are the key properties of 2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 369.94 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 5149693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).