2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine

C14H10N4O — CID 784160

IUPAC2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1
InChIInChI=1S/C14H10N4O/c15-9-2-4-13-12(6-9)18-14(19-13)8-1-3-10-11(5-8)17-7-16-10/h1-7H,15H2,(H,16,17)
InChIKeyZGDMZBQVYDRREE-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.95
Rot. Bonds1

About 2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine

2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine (PubChem CID 784160) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine
PubChem CID784160
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1
InChIInChI=1S/C14H10N4O/c15-9-2-4-13-12(6-9)18-14(19-13)8-1-3-10-11(5-8)17-7-16-10/h1-7H,15H2,(H,16,17)
InChIKeyZGDMZBQVYDRREE-UHFFFAOYSA-N
XLogP2.95
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine (CID 784160) is 2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine?
The InChIKey is ZGDMZBQVYDRREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-9-2-4-13-12(6-9)18-14(19-13)8-1-3-10-11(5-8)17-7-16-10/h1-7H,15H2,(H,16,17).
What are the key properties of 2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine?
2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine has a molecular weight of 250.26 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 784160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).