N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine

C11H10BrCl2N3 — CID 114002339

IUPACN-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H10BrCl2N3/c1-2-17-6-5-15-11(17)16-8-4-3-7(12)9(13)10(8)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyMPXAYKYCSYEKKT-UHFFFAOYSA-N
MW335.03 g/mol
LogP4.72
Rot. Bonds3

About N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine

N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine (PubChem CID 114002339) has the molecular formula C11H10BrCl2N3 and a molecular weight of 335.03 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine
PubChem CID114002339
Molecular FormulaC11H10BrCl2N3
Molecular Weight335.03 g/mol
Exact Mass332.94
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H10BrCl2N3/c1-2-17-6-5-15-11(17)16-8-4-3-7(12)9(13)10(8)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyMPXAYKYCSYEKKT-UHFFFAOYSA-N
XLogP4.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.03
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-1-prop-2-enylimidazol-2-amine
CID 114002343
N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine
CID 106555659
N-(4-bromo-3-chlorophenyl)-1-ethylimidazol-2-amine
CID 107618236
N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106571125
N-(2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106558776
N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine
CID 107608623
N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine
CID 107795932
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine
CID 106583296
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107794861
N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107795879
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106580673

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine (CID 114002339) is N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine is CCn1ccnc1Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine?
The InChIKey is MPXAYKYCSYEKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2N3/c1-2-17-6-5-15-11(17)16-8-4-3-7(12)9(13)10(8)14/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine?
N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine has a molecular weight of 335.03 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine is sourced from PubChem (CID 114002339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).