N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C14H21BrIN3 — CID 120970142

IUPACN-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC(C)(C)c1ccc(Br)cc1.I
InChIInChI=1S/C14H20BrN3.HI/c1-14(2,11-4-6-12(15)7-5-11)10-17-13-16-8-9-18(13)3;/h4-7H,8-10H2,1-3H3,(H,16,17);1H
InChIKeyOKIVGQHTQFROQA-UHFFFAOYSA-N
MW438.15 g/mol
LogP3.24
Rot. Bonds3

About N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970142) has the molecular formula C14H21BrIN3 and a molecular weight of 438.15 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970142
Molecular FormulaC14H21BrIN3
Molecular Weight438.15 g/mol
Exact Mass437.00
IUPAC NameN-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC(C)(C)c1ccc(Br)cc1.I
InChIInChI=1S/C14H20BrN3.HI/c1-14(2,11-4-6-12(15)7-5-11)10-17-13-16-8-9-18(13)3;/h4-7H,8-10H2,1-3H3,(H,16,17);1H
InChIKeyOKIVGQHTQFROQA-UHFFFAOYSA-N
XLogP3.24
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.15
LogP ≤ 53.24
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

N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122096453
N-[2-(3-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970612
N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122097374
1-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]-4,5-dihydroimidazol-2-amine
CID 120970611
N-[(5-bromo-2-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970728
2-N-[2-(4-bromophenyl)-2-methylpropyl]benzene-1,2-diamine
CID 115124663
1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 120971501
2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol
CID 120972167
N-[2-(3,5-difluorophenoxy)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120973002
N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970582
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096075
N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122097052

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970142) is N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCC(C)(C)c1ccc(Br)cc1.I.
What is the InChIKey of N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is OKIVGQHTQFROQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3.HI/c1-14(2,11-4-6-12(15)7-5-11)10-17-13-16-8-9-18(13)3;/h4-7H,8-10H2,1-3H3,(H,16,17);1H.
What are the key properties of N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 438.15 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).