N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine

C14H19BrClN3 — CID 122096453

IUPACN-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC(C)(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN3/c1-14(2,9-18-13-17-6-7-19(13)3)11-5-4-10(15)8-12(11)16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyLZQLSZOOMYTESI-UHFFFAOYSA-N
MW344.68 g/mol
LogP3.27
Rot. Bonds3

About N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 122096453) has the molecular formula C14H19BrClN3 and a molecular weight of 344.68 g/mol. Its IUPAC name is N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID122096453
Molecular FormulaC14H19BrClN3
Molecular Weight344.68 g/mol
Exact Mass343.05
IUPAC NameN-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC(C)(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN3/c1-14(2,9-18-13-17-6-7-19(13)3)11-5-4-10(15)8-12(11)16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyLZQLSZOOMYTESI-UHFFFAOYSA-N
XLogP3.27
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970142
1-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]-4,5-dihydroimidazol-2-amine
CID 120970611
N-[2-(3-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970612
N-[(5-bromo-2-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970728
N-[(E)-3-(4-bromophenyl)prop-2-enyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122097374
N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122097052
N-[(4-bromo-3-fluorophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970582
N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970233
N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972439
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972793
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 122096453) is N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCC(C)(C)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is LZQLSZOOMYTESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3/c1-14(2,9-18-13-17-6-7-19(13)3)11-5-4-10(15)8-12(11)16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 344.68 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 122096453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).