N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine

C13H15BrClN3O — CID 106561203

IUPACN-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H15BrClN3O/c1-9-8-18(5-6-19-2)13(16-9)17-12-4-3-10(14)7-11(12)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeySBLDPLQBDJPRSD-UHFFFAOYSA-N
MW344.64 g/mol
LogP4.00
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine

N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106561203) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106561203
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC NameN-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H15BrClN3O/c1-9-8-18(5-6-19-2)13(16-9)17-12-4-3-10(14)7-11(12)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeySBLDPLQBDJPRSD-UHFFFAOYSA-N
XLogP4.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568956
N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107795879
N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571100
N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554281
N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106560515
N-(2,6-diethylphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106556075
N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554458
1-(2-methoxyethyl)-4-methyl-N-(4-methylsulfanylphenyl)imidazol-2-amine
CID 106556608
N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106578795
1-(3-methoxypropyl)-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570758
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine
CID 106583303
N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106555948

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106561203) is N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCn1cc(C)nc1Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is SBLDPLQBDJPRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O/c1-9-8-18(5-6-19-2)13(16-9)17-12-4-3-10(14)7-11(12)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 344.64 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106561203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).