2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol

C12H10N4O — CID 137016825

IUPAC2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol
SMILESNc1cccnc1-c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C12H10N4O/c13-8-2-1-5-14-11(8)12-15-9-4-3-7(17)6-10(9)16-12/h1-6,17H,13H2,(H,15,16)
InChIKeyOGPXMZWYSHMRMU-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.91
Rot. Bonds1

About 2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol

2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol (PubChem CID 137016825) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol
PubChem CID137016825
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol
SMILESNc1cccnc1-c1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C12H10N4O/c13-8-2-1-5-14-11(8)12-15-9-4-3-7(17)6-10(9)16-12/h1-6,17H,13H2,(H,15,16)
InChIKeyOGPXMZWYSHMRMU-UHFFFAOYSA-N
XLogP1.91
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol (CID 137016825) is 2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol is Nc1cccnc1-c1nc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol?
The InChIKey is OGPXMZWYSHMRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-8-2-1-5-14-11(8)12-15-9-4-3-7(17)6-10(9)16-12/h1-6,17H,13H2,(H,15,16).
What are the key properties of 2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol?
2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol has a molecular weight of 226.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 137016825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).