1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

C17H26IN3 — CID 120970860

IUPAC1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1cccc(C2(CNC3=NCCN3C)CCCC2)c1.I
InChIInChI=1S/C17H25N3.HI/c1-14-6-5-7-15(12-14)17(8-3-4-9-17)13-19-16-18-10-11-20(16)2;/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,18,19);1H
InChIKeyLARSGJWEUVJXRJ-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.32
Rot. Bonds3

About 1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970860) has the molecular formula C17H26IN3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970860
Molecular FormulaC17H26IN3
Molecular Weight399.32 g/mol
Exact Mass399.12
IUPAC Name1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1cccc(C2(CNC3=NCCN3C)CCCC2)c1.I
InChIInChI=1S/C17H25N3.HI/c1-14-6-5-7-15(12-14)17(8-3-4-9-17)13-19-16-18-10-11-20(16)2;/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,18,19);1H
InChIKeyLARSGJWEUVJXRJ-UHFFFAOYSA-N
XLogP3.32
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969379
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971296
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970433
N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972372
N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
CID 62596821
N-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122098622
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972304
1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120971227
N-[[1-(difluoromethyl)cyclopropyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972536
1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine
CID 82132559
(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 95322111
N-(1-bicyclo[2.2.1]heptanylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971853

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970860) is 1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is Cc1cccc(C2(CNC3=NCCN3C)CCCC2)c1.I.
What is the InChIKey of 1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is LARSGJWEUVJXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.HI/c1-14-6-5-7-15(12-14)17(8-3-4-9-17)13-19-16-18-10-11-20(16)2;/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,18,19);1H.
What are the key properties of 1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 399.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).