1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide

C11H17IN4 — CID 120971012

IUPAC1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCCc1ccncc1.I
InChIInChI=1S/C11H16N4.HI/c1-15-9-8-14-11(15)13-7-4-10-2-5-12-6-3-10;/h2-3,5-6H,4,7-9H2,1H3,(H,13,14);1H
InChIKeyCYMQQQGWSDLYSJ-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.13
Rot. Bonds3

About 1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide

1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971012) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971012
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCCc1ccncc1.I
InChIInChI=1S/C11H16N4.HI/c1-15-9-8-14-11(15)13-7-4-10-2-5-12-6-3-10;/h2-3,5-6H,4,7-9H2,1H3,(H,13,14);1H
InChIKeyCYMQQQGWSDLYSJ-UHFFFAOYSA-N
XLogP1.13
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971012) is 1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCCc1ccncc1.I.
What is the InChIKey of 1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is CYMQQQGWSDLYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.HI/c1-15-9-8-14-11(15)13-7-4-10-2-5-12-6-3-10;/h2-3,5-6H,4,7-9H2,1H3,(H,13,14);1H.
What are the key properties of 1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 332.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).