[2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride

C13H14Cl2N4 — CID 50988410

IUPAC[2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1cccnc1-n1cnc2ccccc21
InChIInChI=1S/C13H12N4.2ClH/c14-8-10-4-3-7-15-13(10)17-9-16-11-5-1-2-6-12(11)17;;/h1-7,9H,8,14H2;2*1H
InChIKeyXQUGLOUMVSITSG-UHFFFAOYSA-N
MW297.19 g/mol
LogP2.72
Rot. Bonds2

About [2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride

[2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride (PubChem CID 50988410) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is [2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride
PubChem CID50988410
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name[2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1cccnc1-n1cnc2ccccc21
InChIInChI=1S/C13H12N4.2ClH/c14-8-10-4-3-7-15-13(10)17-9-16-11-5-1-2-6-12(11)17;;/h1-7,9H,8,14H2;2*1H
InChIKeyXQUGLOUMVSITSG-UHFFFAOYSA-N
XLogP2.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride?
The IUPAC name of [2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride (CID 50988410) is [2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride.
What is the SMILES notation for [2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride?
The canonical SMILES for [2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride is Cl.Cl.NCc1cccnc1-n1cnc2ccccc21.
What is the InChIKey of [2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride?
The InChIKey is XQUGLOUMVSITSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4.2ClH/c14-8-10-4-3-7-15-13(10)17-9-16-11-5-1-2-6-12(11)17;;/h1-7,9H,8,14H2;2*1H.
What are the key properties of [2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride?
[2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride has a molecular weight of 297.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzimidazol-1-yl)-3-pyridinyl]methanamine;dihydrochloride is sourced from PubChem (CID 50988410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).