6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine

C13H17BrN4O — CID 65346726

IUPAC6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1CCN1CCOCC1
InChIInChI=1S/C13H17BrN4O/c14-10-1-2-11-12(9-10)18(13(15)16-11)4-3-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H2,15,16)
InChIKeyAUVLINUFSGQTLH-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.71
Rot. Bonds3

About 6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine

6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine (PubChem CID 65346726) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
PubChem CID65346726
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1CCN1CCOCC1
InChIInChI=1S/C13H17BrN4O/c14-10-1-2-11-12(9-10)18(13(15)16-11)4-3-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H2,15,16)
InChIKeyAUVLINUFSGQTLH-UHFFFAOYSA-N
XLogP1.71
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine (CID 65346726) is 6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1CCN1CCOCC1.
What is the InChIKey of 6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
The InChIKey is AUVLINUFSGQTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c14-10-1-2-11-12(9-10)18(13(15)16-11)4-3-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H2,15,16).
What are the key properties of 6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine?
6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine has a molecular weight of 325.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 65346726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).