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

C19H30IN3O2 — CID 120971296

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOc1ccc(C2(CNC3=NCCN3C)CCCCC2)cc1OC.I
InChIInChI=1S/C19H29N3O2.HI/c1-22-12-11-20-18(22)21-14-19(9-5-4-6-10-19)15-7-8-16(23-2)17(13-15)24-3;/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,20,21);1H
InChIKeyKTAMZICHIJSNSM-UHFFFAOYSA-N
MW459.37 g/mol
LogP3.41
Rot. Bonds5

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

N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971296) has the molecular formula C19H30IN3O2 and a molecular weight of 459.37 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971296
Molecular FormulaC19H30IN3O2
Molecular Weight459.37 g/mol
Exact Mass459.14
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOc1ccc(C2(CNC3=NCCN3C)CCCCC2)cc1OC.I
InChIInChI=1S/C19H29N3O2.HI/c1-22-12-11-20-18(22)21-14-19(9-5-4-6-10-19)15-7-8-16(23-2)17(13-15)24-3;/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,20,21);1H
InChIKeyKTAMZICHIJSNSM-UHFFFAOYSA-N
XLogP3.41
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970433
1-methyl-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970860
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
1-methyl-N-[(1-phenylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969379
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
3-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1,1,2-trimethylguanidine
CID 111580985
N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972372
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
N-[[1-(2-methoxyethyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972263
N-[(5-bromo-2-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970728
1-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-2-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111581003
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971296) is N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is COc1ccc(C2(CNC3=NCCN3C)CCCCC2)cc1OC.I.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is KTAMZICHIJSNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.HI/c1-22-12-11-20-18(22)21-14-19(9-5-4-6-10-19)15-7-8-16(23-2)17(13-15)24-3;/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 459.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).