1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine

C13H16BrN3 — CID 64669671

IUPAC1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
SMILESCn1c(C(C)(N)C2CC2)nc2cc(Br)ccc21
InChIInChI=1S/C13H16BrN3/c1-13(15,8-3-4-8)12-16-10-7-9(14)5-6-11(10)17(12)2/h5-8H,3-4,15H2,1-2H3
InChIKeyMKYGAUZJAJBUMQ-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.92
Rot. Bonds2

About 1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine

1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine (PubChem CID 64669671) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
PubChem CID64669671
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
SMILESCn1c(C(C)(N)C2CC2)nc2cc(Br)ccc21
InChIInChI=1S/C13H16BrN3/c1-13(15,8-3-4-8)12-16-10-7-9(14)5-6-11(10)17(12)2/h5-8H,3-4,15H2,1-2H3
InChIKeyMKYGAUZJAJBUMQ-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine?
The IUPAC name of 1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine (CID 64669671) is 1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine.
What is the SMILES notation for 1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine?
The canonical SMILES for 1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine is Cn1c(C(C)(N)C2CC2)nc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine?
The InChIKey is MKYGAUZJAJBUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-13(15,8-3-4-8)12-16-10-7-9(14)5-6-11(10)17(12)2/h5-8H,3-4,15H2,1-2H3.
What are the key properties of 1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine?
1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine is sourced from PubChem (CID 64669671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).