2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide

C19H17IN2 — CID 158320426

IUPAC2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
SMILESI.c1ccc2cc(-c3ccc(C4=NCCN4)cc3)ccc2c1
InChIInChI=1S/C19H16N2.HI/c1-2-4-17-13-18(10-7-14(17)3-1)15-5-8-16(9-6-15)19-20-11-12-21-19;/h1-10,13H,11-12H2,(H,20,21);1H
InChIKeyGOTXBKYEIKMLLA-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.47
Rot. Bonds2

About 2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide

2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide (PubChem CID 158320426) has the molecular formula C19H17IN2 and a molecular weight of 400.26 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
PubChem CID158320426
Molecular FormulaC19H17IN2
Molecular Weight400.26 g/mol
Exact Mass400.04
IUPAC Name2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
SMILESI.c1ccc2cc(-c3ccc(C4=NCCN4)cc3)ccc2c1
InChIInChI=1S/C19H16N2.HI/c1-2-4-17-13-18(10-7-14(17)3-1)15-5-8-16(9-6-15)19-20-11-12-21-19;/h1-10,13H,11-12H2,(H,20,21);1H
InChIKeyGOTXBKYEIKMLLA-UHFFFAOYSA-N
XLogP4.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate
CID 162678930
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 71747659
2-(4-naphthalen-1-ylphenyl)-4,5-dihydro-1H-imidazole
CID 10221130
2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 57447514
benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)
CID 175004780
3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline
CID 3410883
4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride
CID 131857120
2-thianthren-2-yl-4,5-dihydro-1H-imidazole
CID 10779436
benzo[f]azulene
CID 13065869
2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 141119932
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-4-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide
CID 58638734

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide?
The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide (CID 158320426) is 2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide.
What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide?
The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide is I.c1ccc2cc(-c3ccc(C4=NCCN4)cc3)ccc2c1.
What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide?
The InChIKey is GOTXBKYEIKMLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2.HI/c1-2-4-17-13-18(10-7-14(17)3-1)15-5-8-16(9-6-15)19-20-11-12-21-19;/h1-10,13H,11-12H2,(H,20,21);1H.
What are the key properties of 2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide?
2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide has a molecular weight of 400.26 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide is sourced from PubChem (CID 158320426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).