5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C11H17IN4 — CID 120969474

IUPAC5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCC1CN=C(NCCc2cccnc2)N1.I
InChIInChI=1S/C11H16N4.HI/c1-9-7-14-11(15-9)13-6-4-10-3-2-5-12-8-10;/h2-3,5,8-9H,4,6-7H2,1H3,(H2,13,14,15);1H
InChIKeyFSWLNFNILIIMFN-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.18
Rot. Bonds3

About 5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 120969474) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID120969474
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCC1CN=C(NCCc2cccnc2)N1.I
InChIInChI=1S/C11H16N4.HI/c1-9-7-14-11(15-9)13-6-4-10-3-2-5-12-8-10;/h2-3,5,8-9H,4,6-7H2,1H3,(H2,13,14,15);1H
InChIKeyFSWLNFNILIIMFN-UHFFFAOYSA-N
XLogP1.18
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120972179
5-methyl-N-[(5-methyl-3-pyridinyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120971881
5-(2,2-dimethylpropyl)-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154019
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 120969780
2-cyclopropyl-6-N-methyl-4-N-(2-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968028
1-methyl-N-(2-pyridin-3-ylethyl)pyrazol-4-amine
CID 79771016
2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 60894469
N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine
CID 63265124
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
5-methoxy-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 106503992
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62864756

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of 5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 120969474) is 5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for 5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for 5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CC1CN=C(NCCc2cccnc2)N1.I.
What is the InChIKey of 5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is FSWLNFNILIIMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.HI/c1-9-7-14-11(15-9)13-6-4-10-3-2-5-12-8-10;/h2-3,5,8-9H,4,6-7H2,1H3,(H2,13,14,15);1H.
What are the key properties of 5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 332.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).