2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine

C16H14N4O — CID 79883035

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine
SMILESCc1cc2ncn(-c3nc4ccc(N)cc4o3)c2cc1C
InChIInChI=1S/C16H14N4O/c1-9-5-13-14(6-10(9)2)20(8-18-13)16-19-12-4-3-11(17)7-15(12)21-16/h3-8H,17H2,1-2H3
InChIKeyXXGGJSROWQRXAP-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.37
Rot. Bonds1

About 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine

2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine (PubChem CID 79883035) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine
PubChem CID79883035
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine
SMILESCc1cc2ncn(-c3nc4ccc(N)cc4o3)c2cc1C
InChIInChI=1S/C16H14N4O/c1-9-5-13-14(6-10(9)2)20(8-18-13)16-19-12-4-3-11(17)7-15(12)21-16/h3-8H,17H2,1-2H3
InChIKeyXXGGJSROWQRXAP-UHFFFAOYSA-N
XLogP3.37
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine (CID 79883035) is 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine is Cc1cc2ncn(-c3nc4ccc(N)cc4o3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine?
The InChIKey is XXGGJSROWQRXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-9-5-13-14(6-10(9)2)20(8-18-13)16-19-12-4-3-11(17)7-15(12)21-16/h3-8H,17H2,1-2H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine?
2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine has a molecular weight of 278.31 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79883035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).