N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine

C13H15BrClN3O — CID 106580696

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1ccnc1Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C13H15BrClN3O/c1-9-7-10(14)12(8-11(9)15)17-13-16-3-4-18(13)5-6-19-2/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyLTSURGQKBOQPKF-UHFFFAOYSA-N
MW344.64 g/mol
LogP4.00
Rot. Bonds5

About N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine

N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106580696) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
PubChem CID106580696
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1ccnc1Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C13H15BrClN3O/c1-9-7-10(14)12(8-11(9)15)17-13-16-3-4-18(13)5-6-19-2/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyLTSURGQKBOQPKF-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-(2-bromo-5-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106578947
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106580673
N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106557048
N-(2,5-difluoro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106583661
1-(2-methoxyethyl)-N-(2,4,6-trimethylphenyl)imidazol-2-amine
CID 106555369
N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106578727
N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106558420
1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106580686
N-(2-chloro-5-methoxyphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106563995
1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine
CID 106583543
N-(2-ethoxyphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106583771
N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106576265

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine (CID 106580696) is N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine is COCCn1ccnc1Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is LTSURGQKBOQPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O/c1-9-7-10(14)12(8-11(9)15)17-13-16-3-4-18(13)5-6-19-2/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine?
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-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-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106580696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).