N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine

C13H16BrN3O — CID 106557048

IUPACN-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1ccnc1Nc1ccc(Br)c(C)c1
InChIInChI=1S/C13H16BrN3O/c1-10-9-11(3-4-12(10)14)16-13-15-5-6-17(13)7-8-18-2/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyYBWJHDPDKBGTOQ-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.34
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine

N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106557048) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
PubChem CID106557048
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC NameN-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1ccnc1Nc1ccc(Br)c(C)c1
InChIInChI=1S/C13H16BrN3O/c1-10-9-11(3-4-12(10)14)16-13-15-5-6-17(13)7-8-18-2/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyYBWJHDPDKBGTOQ-UHFFFAOYSA-N
XLogP3.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.34
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-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104
N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106558420
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106580696
1-(2-methoxyethyl)-N-[3-(methoxymethyl)phenyl]imidazol-2-amine
CID 106567138
1-(2-methoxyethyl)-N-(2,4,6-trimethylphenyl)imidazol-2-amine
CID 106555369
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106563769
N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine
CID 155799369
N-(2,5-difluoro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106583661
N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106554175
N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine
CID 106573027
N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
CID 107581491

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine (CID 106557048) is N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine is COCCn1ccnc1Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is YBWJHDPDKBGTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-10-9-11(3-4-12(10)14)16-13-15-5-6-17(13)7-8-18-2/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine?
N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 310.20 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106557048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).