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

C25H27N3S — CID 42600981

IUPACN-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCC(C)Sc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1
InChIInChI=1S/C25H27N3S/c1-4-19(3)29-22-13-11-21(12-14-22)24-25(26-16-20-8-6-5-7-9-20)28-17-18(2)10-15-23(28)27-24/h5-15,17,19,26H,4,16H2,1-3H3
InChIKeyKHELVDMONQBQRT-UHFFFAOYSA-N
MW401.58 g/mol
LogP6.81
Rot. Bonds7

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

N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 42600981) has the molecular formula C25H27N3S and a molecular weight of 401.58 g/mol. Its IUPAC name is N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID42600981
Molecular FormulaC25H27N3S
Molecular Weight401.58 g/mol
Exact Mass401.19
IUPAC NameN-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCC(C)Sc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1
InChIInChI=1S/C25H27N3S/c1-4-19(3)29-22-13-11-21(12-14-22)24-25(26-16-20-8-6-5-7-9-20)28-17-18(2)10-15-23(28)27-24/h5-15,17,19,26H,4,16H2,1-3H3
InChIKeyKHELVDMONQBQRT-UHFFFAOYSA-N
XLogP6.81
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.58
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine (CID 42600981) is N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine is CCC(C)Sc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is KHELVDMONQBQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3S/c1-4-19(3)29-22-13-11-21(12-14-22)24-25(26-16-20-8-6-5-7-9-20)28-17-18(2)10-15-23(28)27-24/h5-15,17,19,26H,4,16H2,1-3H3.
What are the key properties of N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 401.58 g/mol, XLogP of 6.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-butan-2-ylsulfanylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 42600981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).