5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C20H26IN3O2S — CID 167855462

IUPAC5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCc1ccc(S(=O)(=O)CC(C)NC2=NCC(Cc3ccccc3)N2)cc1.I
InChIInChI=1S/C20H25N3O2S.HI/c1-15-8-10-19(11-9-15)26(24,25)14-16(2)22-20-21-13-18(23-20)12-17-6-4-3-5-7-17;/h3-11,16,18H,12-14H2,1-2H3,(H2,21,22,23);1H
InChIKeyFVHFFUOOVSRVTO-UHFFFAOYSA-N
MW499.42 g/mol
LogP2.94
Rot. Bonds6

About 5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 167855462) has the molecular formula C20H26IN3O2S and a molecular weight of 499.42 g/mol. Its IUPAC name is 5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID167855462
Molecular FormulaC20H26IN3O2S
Molecular Weight499.42 g/mol
Exact Mass499.08
IUPAC Name5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCc1ccc(S(=O)(=O)CC(C)NC2=NCC(Cc3ccccc3)N2)cc1.I
InChIInChI=1S/C20H25N3O2S.HI/c1-15-8-10-19(11-9-15)26(24,25)14-16(2)22-20-21-13-18(23-20)12-17-6-4-3-5-7-17;/h3-11,16,18H,12-14H2,1-2H3,(H2,21,22,23);1H
InChIKeyFVHFFUOOVSRVTO-UHFFFAOYSA-N
XLogP2.94
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 52.94
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-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of 5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 167855462) is 5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for 5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for 5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is Cc1ccc(S(=O)(=O)CC(C)NC2=NCC(Cc3ccccc3)N2)cc1.I.
What is the InChIKey of 5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is FVHFFUOOVSRVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S.HI/c1-15-8-10-19(11-9-15)26(24,25)14-16(2)22-20-21-13-18(23-20)12-17-6-4-3-5-7-17;/h3-11,16,18H,12-14H2,1-2H3,(H2,21,22,23);1H.
What are the key properties of 5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 499.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 167855462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).