5-bromo-1-ethylbenzimidazol-2-amine

C9H10BrN3 — CID 39733241

IUPAC5-bromo-1-ethylbenzimidazol-2-amine
SMILESCCn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN3/c1-2-13-8-4-3-6(10)5-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyPKXDSPHJYREQRJ-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.40
Rot. Bonds1

About 5-bromo-1-ethylbenzimidazol-2-amine

5-bromo-1-ethylbenzimidazol-2-amine (PubChem CID 39733241) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 5-bromo-1-ethylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-ethylbenzimidazol-2-amine
PubChem CID39733241
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name5-bromo-1-ethylbenzimidazol-2-amine
SMILESCCn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C9H10BrN3/c1-2-13-8-4-3-6(10)5-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyPKXDSPHJYREQRJ-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethylbenzimidazol-2-amine?
The IUPAC name of 5-bromo-1-ethylbenzimidazol-2-amine (CID 39733241) is 5-bromo-1-ethylbenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-ethylbenzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-ethylbenzimidazol-2-amine is CCn1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-ethylbenzimidazol-2-amine?
The InChIKey is PKXDSPHJYREQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-2-13-8-4-3-6(10)5-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12).
What are the key properties of 5-bromo-1-ethylbenzimidazol-2-amine?
5-bromo-1-ethylbenzimidazol-2-amine has a molecular weight of 240.10 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethylbenzimidazol-2-amine is sourced from PubChem (CID 39733241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).