5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C13H22IN5 — CID 120970072

IUPAC5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCC1CN=C(NCCc2cn3c(n2)CCCC3)N1.I
InChIInChI=1S/C13H21N5.HI/c1-10-8-15-13(16-10)14-6-5-11-9-18-7-3-2-4-12(18)17-11;/h9-10H,2-8H2,1H3,(H2,14,15,16);1H
InChIKeyLTFHZYSRHSXYEH-UHFFFAOYSA-N
MW375.26 g/mol
LogP1.32
Rot. Bonds3

About 5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 120970072) has the molecular formula C13H22IN5 and a molecular weight of 375.26 g/mol. Its IUPAC name is 5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID120970072
Molecular FormulaC13H22IN5
Molecular Weight375.26 g/mol
Exact Mass375.09
IUPAC Name5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCC1CN=C(NCCc2cn3c(n2)CCCC3)N1.I
InChIInChI=1S/C13H21N5.HI/c1-10-8-15-13(16-10)14-6-5-11-9-18-7-3-2-4-12(18)17-11;/h9-10H,2-8H2,1H3,(H2,14,15,16);1H
InChIKeyLTFHZYSRHSXYEH-UHFFFAOYSA-N
XLogP1.32
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of 5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 120970072) is 5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for 5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for 5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CC1CN=C(NCCc2cn3c(n2)CCCC3)N1.I.
What is the InChIKey of 5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is LTFHZYSRHSXYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5.HI/c1-10-8-15-13(16-10)14-6-5-11-9-18-7-3-2-4-12(18)17-11;/h9-10H,2-8H2,1H3,(H2,14,15,16);1H.
What are the key properties of 5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 375.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).