N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C20H20IN3S — CID 15945566

IUPACN-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESI.c1ccc(Sc2cccc3ccccc23)c(CNC2=NCCN2)c1
InChIInChI=1S/C20H19N3S.HI/c1-3-9-17-15(6-1)8-5-11-19(17)24-18-10-4-2-7-16(18)14-23-20-21-12-13-22-20;/h1-11H,12-14H2,(H2,21,22,23);1H
InChIKeyCXTQDTVNQKHTHF-UHFFFAOYSA-N
MW461.37 g/mol
LogP4.66
Rot. Bonds4

About N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 15945566) has the molecular formula C20H20IN3S and a molecular weight of 461.37 g/mol. Its IUPAC name is N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID15945566
Molecular FormulaC20H20IN3S
Molecular Weight461.37 g/mol
Exact Mass461.04
IUPAC NameN-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESI.c1ccc(Sc2cccc3ccccc23)c(CNC2=NCCN2)c1
InChIInChI=1S/C20H19N3S.HI/c1-3-9-17-15(6-1)8-5-11-19(17)24-18-10-4-2-7-16(18)14-23-20-21-12-13-22-20;/h1-11H,12-14H2,(H2,21,22,23);1H
InChIKeyCXTQDTVNQKHTHF-UHFFFAOYSA-N
XLogP4.66
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 54.66
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

N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 126766928
N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915371
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 75480310
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 4436
N-[[2-(methylsulfonylmethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119148482
N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 22401591
N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine
CID 111478646
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915521
2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 3086490
N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601227
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 51132130

Frequently Asked Questions

What is the IUPAC name of N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 15945566) is N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is I.c1ccc(Sc2cccc3ccccc23)c(CNC2=NCCN2)c1.
What is the InChIKey of N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is CXTQDTVNQKHTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S.HI/c1-3-9-17-15(6-1)8-5-11-19(17)24-18-10-4-2-7-16(18)14-23-20-21-12-13-22-20;/h1-11H,12-14H2,(H2,21,22,23);1H.
What are the key properties of N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 461.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 15945566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).