6-bromo-1-ethylbenzimidazol-2-amine

C9H10BrN3 — CID 65346774

IUPAC6-bromo-1-ethylbenzimidazol-2-amine
SMILESCCn1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C9H10BrN3/c1-2-13-8-5-6(10)3-4-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyISPNMRVYCBNKHM-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.40
Rot. Bonds1

About 6-bromo-1-ethylbenzimidazol-2-amine

6-bromo-1-ethylbenzimidazol-2-amine (PubChem CID 65346774) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 6-bromo-1-ethylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-ethylbenzimidazol-2-amine
PubChem CID65346774
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name6-bromo-1-ethylbenzimidazol-2-amine
SMILESCCn1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C9H10BrN3/c1-2-13-8-5-6(10)3-4-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyISPNMRVYCBNKHM-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 6-bromo-1-ethylbenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-ethylbenzimidazol-2-amine (CID 65346774) is 6-bromo-1-ethylbenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-ethylbenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-ethylbenzimidazol-2-amine is CCn1c(N)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-ethylbenzimidazol-2-amine?
The InChIKey is ISPNMRVYCBNKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-2-13-8-5-6(10)3-4-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12).
What are the key properties of 6-bromo-1-ethylbenzimidazol-2-amine?
6-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 6-bromo-1-ethylbenzimidazol-2-amine is sourced from PubChem (CID 65346774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).