3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol

C15H16N4O2 — CID 168594981

IUPAC3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol
SMILESOCC(O)CNc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C15H16N4O2/c20-9-11(21)8-17-10-4-5-12-14(7-10)19-15(18-12)13-3-1-2-6-16-13/h1-7,11,17,20-21H,8-9H2,(H,18,19)
InChIKeyGZBHQQHHVNIIFF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.39
Rot. Bonds5

About 3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol

3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol (PubChem CID 168594981) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol
PubChem CID168594981
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol
SMILESOCC(O)CNc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C15H16N4O2/c20-9-11(21)8-17-10-4-5-12-14(7-10)19-15(18-12)13-3-1-2-6-16-13/h1-7,11,17,20-21H,8-9H2,(H,18,19)
InChIKeyGZBHQQHHVNIIFF-UHFFFAOYSA-N
XLogP1.39
TPSA94.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol (CID 168594981) is 3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol is OCC(O)CNc1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of 3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol?
The InChIKey is GZBHQQHHVNIIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-9-11(21)8-17-10-4-5-12-14(7-10)19-15(18-12)13-3-1-2-6-16-13/h1-7,11,17,20-21H,8-9H2,(H,18,19).
What are the key properties of 3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol?
3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol has a molecular weight of 284.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)amino]propane-1,2-diol is sourced from PubChem (CID 168594981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).