6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine

C13H11BrN4 — CID 65347065

IUPAC6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1Cc1cccnc1
InChIInChI=1S/C13H11BrN4/c14-10-3-4-11-12(6-10)18(13(15)17-11)8-9-2-1-5-16-7-9/h1-7H,8H2,(H2,15,17)
InChIKeyRBORIUTZCAGEFK-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.82
Rot. Bonds2

About 6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine

6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine (PubChem CID 65347065) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine
PubChem CID65347065
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1Cc1cccnc1
InChIInChI=1S/C13H11BrN4/c14-10-3-4-11-12(6-10)18(13(15)17-11)8-9-2-1-5-16-7-9/h1-7H,8H2,(H2,15,17)
InChIKeyRBORIUTZCAGEFK-UHFFFAOYSA-N
XLogP2.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine (CID 65347065) is 6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1Cc1cccnc1.
What is the InChIKey of 6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is RBORIUTZCAGEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c14-10-3-4-11-12(6-10)18(13(15)17-11)8-9-2-1-5-16-7-9/h1-7H,8H2,(H2,15,17).
What are the key properties of 6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine?
6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 303.16 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 65347065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).