N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C16H23ClIN3O — CID 120972982

IUPACN-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC(OCC1CC1)c1ccc(Cl)cc1.I
InChIInChI=1S/C16H22ClN3O.HI/c1-20-9-8-18-16(20)19-10-15(21-11-12-2-3-12)13-4-6-14(17)7-5-13;/h4-7,12,15H,2-3,8-11H2,1H3,(H,18,19);1H
InChIKeyZOZLZQQKCQHHFV-UHFFFAOYSA-N
MW435.74 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972982) has the molecular formula C16H23ClIN3O and a molecular weight of 435.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972982
Molecular FormulaC16H23ClIN3O
Molecular Weight435.74 g/mol
Exact Mass435.06
IUPAC NameN-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC(OCC1CC1)c1ccc(Cl)cc1.I
InChIInChI=1S/C16H22ClN3O.HI/c1-20-9-8-18-16(20)19-10-15(21-11-12-2-3-12)13-4-6-14(17)7-5-13;/h4-7,12,15H,2-3,8-11H2,1H3,(H,18,19);1H
InChIKeyZOZLZQQKCQHHFV-UHFFFAOYSA-N
XLogP3.32
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972441
1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine
CID 120972985
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969485
1-[2-bromo-1-(cyclopropylmethoxy)ethyl]-4-chlorobenzene
CID 62113858
2-(4-chlorophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66322375
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958
1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol
CID 122082808
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971467
N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970289
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971108
N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine
CID 62107147
2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine
CID 62107327

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972982) is N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCC(OCC1CC1)c1ccc(Cl)cc1.I.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is ZOZLZQQKCQHHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O.HI/c1-20-9-8-18-16(20)19-10-15(21-11-12-2-3-12)13-4-6-14(17)7-5-13;/h4-7,12,15H,2-3,8-11H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 435.74 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).