2-amino-1-phenylbenzimidazol-4-ol

C13H11N3O — CID 84790043

IUPAC2-amino-1-phenylbenzimidazol-4-ol
SMILESNc1nc2c(O)cccc2n1-c1ccccc1
InChIInChI=1S/C13H11N3O/c14-13-15-12-10(7-4-8-11(12)17)16(13)9-5-2-1-3-6-9/h1-8,17H,(H2,14,15)
InChIKeyHINKJYOSXJWCCD-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.31
Rot. Bonds1

About 2-amino-1-phenylbenzimidazol-4-ol

2-amino-1-phenylbenzimidazol-4-ol (PubChem CID 84790043) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-1-phenylbenzimidazol-4-ol.

Molecular Properties

Compound Name2-amino-1-phenylbenzimidazol-4-ol
PubChem CID84790043
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-amino-1-phenylbenzimidazol-4-ol
SMILESNc1nc2c(O)cccc2n1-c1ccccc1
InChIInChI=1S/C13H11N3O/c14-13-15-12-10(7-4-8-11(12)17)16(13)9-5-2-1-3-6-9/h1-8,17H,(H2,14,15)
InChIKeyHINKJYOSXJWCCD-UHFFFAOYSA-N
XLogP2.31
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylbenzimidazol-4-ol?
The IUPAC name of 2-amino-1-phenylbenzimidazol-4-ol (CID 84790043) is 2-amino-1-phenylbenzimidazol-4-ol.
What is the SMILES notation for 2-amino-1-phenylbenzimidazol-4-ol?
The canonical SMILES for 2-amino-1-phenylbenzimidazol-4-ol is Nc1nc2c(O)cccc2n1-c1ccccc1.
What is the InChIKey of 2-amino-1-phenylbenzimidazol-4-ol?
The InChIKey is HINKJYOSXJWCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-13-15-12-10(7-4-8-11(12)17)16(13)9-5-2-1-3-6-9/h1-8,17H,(H2,14,15).
What are the key properties of 2-amino-1-phenylbenzimidazol-4-ol?
2-amino-1-phenylbenzimidazol-4-ol has a molecular weight of 225.25 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylbenzimidazol-4-ol is sourced from PubChem (CID 84790043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).