N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine

C21H18ClN3 — CID 42738384

IUPACN-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C21H18ClN3/c1-15-7-12-19-24-20(17-8-10-18(22)11-9-17)21(25(19)14-15)23-13-16-5-3-2-4-6-16/h2-12,14,23H,13H2,1H3
InChIKeyIXKKCSZNKYTLAL-UHFFFAOYSA-N
MW347.85 g/mol
LogP5.58
Rot. Bonds4

About N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine

N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 42738384) has the molecular formula C21H18ClN3 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID42738384
Molecular FormulaC21H18ClN3
Molecular Weight347.85 g/mol
Exact Mass347.12
IUPAC NameN-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C21H18ClN3/c1-15-7-12-19-24-20(17-8-10-18(22)11-9-17)21(25(19)14-15)23-13-16-5-3-2-4-6-16/h2-12,14,23H,13H2,1H3
InChIKeyIXKKCSZNKYTLAL-UHFFFAOYSA-N
XLogP5.58
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine (CID 42738384) is N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3ccc(Cl)cc3)c(NCc3ccccc3)n2c1.
What is the InChIKey of N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is IXKKCSZNKYTLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3/c1-15-7-12-19-24-20(17-8-10-18(22)11-9-17)21(25(19)14-15)23-13-16-5-3-2-4-6-16/h2-12,14,23H,13H2,1H3.
What are the key properties of N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 347.85 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 42738384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).