N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C14H22IN3 — CID 166264996

IUPACN-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCCC(CC)NC1=NCC(c2ccccc2)N1.I
InChIInChI=1S/C14H21N3.HI/c1-3-12(4-2)16-14-15-10-13(17-14)11-8-6-5-7-9-11;/h5-9,12-13H,3-4,10H2,1-2H3,(H2,15,16,17);1H
InChIKeyXZQVRQCFRSEVSG-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.08
Rot. Bonds4

About N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 166264996) has the molecular formula C14H22IN3 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID166264996
Molecular FormulaC14H22IN3
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC NameN-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCCC(CC)NC1=NCC(c2ccccc2)N1.I
InChIInChI=1S/C14H21N3.HI/c1-3-12(4-2)16-14-15-10-13(17-14)11-8-6-5-7-9-11;/h5-9,12-13H,3-4,10H2,1-2H3,(H2,15,16,17);1H
InChIKeyXZQVRQCFRSEVSG-UHFFFAOYSA-N
XLogP3.08
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bethanidine
CID 2368
1H-Imidazole, 4,5-dihydro-5-methyl-2-phenyl-
CID 70319
1-(Guanidino)-17-(N1-(benzyl)guanidino)-9-azaheptadecane tris(trifluoroacetate)
CID 44221519
4-(Benzylamino)-6-(ethylamino)-1,3,5-triazine-2-thiol
CID 976819
5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2997387
1,2-Dibenzylguanidine
CID 33142
1H-Imidazol-2-amine, 4,5-dihydro-4-phenyl-
CID 11298130
5-Methyl-2-(m-tolyl)-4,5-dihydro-1H-imidazole
CID 19763483
2-(4-propylphenyl)-4,5-dihydro-1H-imidazole
CID 44269036
5-Methyl-2-(p-tolyl)-4,5-dihydro-1H-imidazole
CID 44269044
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135386625
(4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine
CID 135448190

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 166264996) is N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CCC(CC)NC1=NCC(c2ccccc2)N1.I.
What is the InChIKey of N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is XZQVRQCFRSEVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.HI/c1-3-12(4-2)16-14-15-10-13(17-14)11-8-6-5-7-9-11;/h5-9,12-13H,3-4,10H2,1-2H3,(H2,15,16,17);1H.
What are the key properties of N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 359.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 166264996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).