N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine

C11H11BrClN3 — CID 106571125

IUPACN-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H11BrClN3/c1-2-16-6-5-14-11(16)15-10-7-8(12)3-4-9(10)13/h3-7H,2H2,1H3,(H,14,15)
InChIKeyFNZQRVJIIXXDRE-UHFFFAOYSA-N
MW300.59 g/mol
LogP4.06
Rot. Bonds3

About N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine

N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine (PubChem CID 106571125) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
PubChem CID106571125
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC NameN-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H11BrClN3/c1-2-16-6-5-14-11(16)15-10-7-8(12)3-4-9(10)13/h3-7H,2H2,1H3,(H,14,15)
InChIKeyFNZQRVJIIXXDRE-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine (CID 106571125) is N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine is CCn1ccnc1Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine?
The InChIKey is FNZQRVJIIXXDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c1-2-16-6-5-14-11(16)15-10-7-8(12)3-4-9(10)13/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine?
N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine has a molecular weight of 300.59 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine is sourced from PubChem (CID 106571125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).