N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine

C24H18ClN3S — CID 20851723

IUPACN-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc2nc(-c3ccsc3)c(NC(c3ccccc3)c3ccccc3)n2c1
InChIInChI=1S/C24H18ClN3S/c25-20-11-12-21-26-23(19-13-14-29-16-19)24(28(21)15-20)27-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,22,27H
InChIKeyUOAWGXCUAGCJNA-UHFFFAOYSA-N
MW415.95 g/mol
LogP6.92
Rot. Bonds5

About N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine

N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 20851723) has the molecular formula C24H18ClN3S and a molecular weight of 415.95 g/mol. Its IUPAC name is N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID20851723
Molecular FormulaC24H18ClN3S
Molecular Weight415.95 g/mol
Exact Mass415.09
IUPAC NameN-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc2nc(-c3ccsc3)c(NC(c3ccccc3)c3ccccc3)n2c1
InChIInChI=1S/C24H18ClN3S/c25-20-11-12-21-26-23(19-13-14-29-16-19)24(28(21)15-20)27-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,22,27H
InChIKeyUOAWGXCUAGCJNA-UHFFFAOYSA-N
XLogP6.92
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.95
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine (CID 20851723) is N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine is Clc1ccc2nc(-c3ccsc3)c(NC(c3ccccc3)c3ccccc3)n2c1.
What is the InChIKey of N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is UOAWGXCUAGCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3S/c25-20-11-12-21-26-23(19-13-14-29-16-19)24(28(21)15-20)27-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,22,27H.
What are the key properties of N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 415.95 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-6-chloro-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 20851723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).