(5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine

C13H17N5 — CID 142482276

IUPAC(5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N)N1CCc1cnc2ccccn12
InChIInChI=1S/C13H17N5/c1-10-8-16-13(14)17(10)7-5-11-9-15-12-4-2-3-6-18(11)12/h2-4,6,9-10H,5,7-8H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyMHKLAPZOCUYUKC-JTQLQIEISA-N
MW243.31 g/mol
LogP0.90
Rot. Bonds3

About (5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine

(5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 142482276) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is (5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine
PubChem CID142482276
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name(5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N)N1CCc1cnc2ccccn12
InChIInChI=1S/C13H17N5/c1-10-8-16-13(14)17(10)7-5-11-9-15-12-4-2-3-6-18(11)12/h2-4,6,9-10H,5,7-8H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyMHKLAPZOCUYUKC-JTQLQIEISA-N
XLogP0.90
TPSA58.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine (CID 142482276) is (5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(N)N1CCc1cnc2ccccn12.
What is the InChIKey of (5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is MHKLAPZOCUYUKC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5/c1-10-8-16-13(14)17(10)7-5-11-9-15-12-4-2-3-6-18(11)12/h2-4,6,9-10H,5,7-8H2,1H3,(H2,14,16)/t10-/m0/s1.
What are the key properties of (5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine?
(5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 243.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 142482276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).