1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine

C11H11BrClN3 — CID 106583604

IUPAC1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine
SMILESCCNc1nccn1-c1cccc(Cl)c1Br
InChIInChI=1S/C11H11BrClN3/c1-2-14-11-15-6-7-16(11)9-5-3-4-8(13)10(9)12/h3-7H,2H2,1H3,(H,14,15)
InChIKeyVKWZTBWCBXXYCN-UHFFFAOYSA-N
MW300.59 g/mol
LogP3.72
Rot. Bonds3

About 1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine

1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine (PubChem CID 106583604) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine
PubChem CID106583604
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine
SMILESCCNc1nccn1-c1cccc(Cl)c1Br
InChIInChI=1S/C11H11BrClN3/c1-2-14-11-15-6-7-16(11)9-5-3-4-8(13)10(9)12/h3-7H,2H2,1H3,(H,14,15)
InChIKeyVKWZTBWCBXXYCN-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
1-(2-bromo-4-chlorophenyl)-N-ethylimidazol-2-amine
CID 106577581
1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine
CID 106579810
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943
N-ethyl-1-isoquinolin-5-ylimidazol-2-amine
CID 106562839
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylimidazol-2-amine
CID 106557968
1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106558572
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326
1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 114250877

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine (CID 106583604) is 1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine is CCNc1nccn1-c1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine?
The InChIKey is VKWZTBWCBXXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c1-2-14-11-15-6-7-16(11)9-5-3-4-8(13)10(9)12/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine?
1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine has a molecular weight of 300.59 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine is sourced from PubChem (CID 106583604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).