1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine

C11H11BrFN3 — CID 106556992

IUPAC1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
SMILESCCNc1nccn1-c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFN3/c1-2-14-11-15-5-6-16(11)10-4-3-8(12)7-9(10)13/h3-7H,2H2,1H3,(H,14,15)
InChIKeyLVFPFZMPCBXUBO-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine

1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine (PubChem CID 106556992) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
PubChem CID106556992
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
SMILESCCNc1nccn1-c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFN3/c1-2-14-11-15-5-6-16(11)10-4-3-8(12)7-9(10)13/h3-7H,2H2,1H3,(H,14,15)
InChIKeyLVFPFZMPCBXUBO-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
1-(2-bromo-4-chlorophenyl)-N-ethylimidazol-2-amine
CID 106577581
1-(4-bromo-2-fluorophenyl)-N-phenylimidazol-2-amine
CID 106556947
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073
1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943
1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine
CID 106579810
1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine
CID 106562851
1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine
CID 106583604
1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine
CID 106556388
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine
CID 106557968

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine (CID 106556992) is 1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine is CCNc1nccn1-c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine?
The InChIKey is LVFPFZMPCBXUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-2-14-11-15-5-6-16(11)10-4-3-8(12)7-9(10)13/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine?
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine has a molecular weight of 284.13 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine is sourced from PubChem (CID 106556992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).