1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide

C16H27IN4 — CID 120969145

IUPAC1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide
SMILESCCc1ccc(C(CNC2=NCCN2C)N(C)C)cc1.I
InChIInChI=1S/C16H26N4.HI/c1-5-13-6-8-14(9-7-13)15(19(2)3)12-18-16-17-10-11-20(16)4;/h6-9,15H,5,10-12H2,1-4H3,(H,17,18);1H
InChIKeyFTRGDAXRJNJCBU-UHFFFAOYSA-N
MW402.32 g/mol
LogP2.36
Rot. Bonds5

About 1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide

1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide (PubChem CID 120969145) has the molecular formula C16H27IN4 and a molecular weight of 402.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide
PubChem CID120969145
Molecular FormulaC16H27IN4
Molecular Weight402.32 g/mol
Exact Mass402.13
IUPAC Name1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide
SMILESCCc1ccc(C(CNC2=NCCN2C)N(C)C)cc1.I
InChIInChI=1S/C16H26N4.HI/c1-5-13-6-8-14(9-7-13)15(19(2)3)12-18-16-17-10-11-20(16)4;/h6-9,15H,5,10-12H2,1-4H3,(H,17,18);1H
InChIKeyFTRGDAXRJNJCBU-UHFFFAOYSA-N
XLogP2.36
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine
CID 120972985
N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969182
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969484
N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972441
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969485
1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971012
1-methyl-N-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydroimidazol-2-amine
CID 120972323
4-[1-hydroxy-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzene-1,2-diol
CID 171986525
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 94081615
1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971314
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide?
The IUPAC name of 1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide (CID 120969145) is 1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide.
What is the SMILES notation for 1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide?
The canonical SMILES for 1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide is CCc1ccc(C(CNC2=NCCN2C)N(C)C)cc1.I.
What is the InChIKey of 1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide?
The InChIKey is FTRGDAXRJNJCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.HI/c1-5-13-6-8-14(9-7-13)15(19(2)3)12-18-16-17-10-11-20(16)4;/h6-9,15H,5,10-12H2,1-4H3,(H,17,18);1H.
What are the key properties of 1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide?
1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide has a molecular weight of 402.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N,N-dimethyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)ethane-1,2-diamine;hydroiodide is sourced from PubChem (CID 120969145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).