5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine

C20H14N4O — CID 71037615

IUPAC5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncn(-c5ccccc5)c4c3)ccc2o1
InChIInChI=1S/C20H14N4O/c21-20-23-17-10-13(7-9-19(17)25-20)14-6-8-16-18(11-14)24(12-22-16)15-4-2-1-3-5-15/h1-12H,(H2,21,23)
InChIKeyHMXBBUVBUHSMTJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.42
Rot. Bonds2

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

5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine (PubChem CID 71037615) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine
PubChem CID71037615
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncn(-c5ccccc5)c4c3)ccc2o1
InChIInChI=1S/C20H14N4O/c21-20-23-17-10-13(7-9-19(17)25-20)14-6-8-16-18(11-14)24(12-22-16)15-4-2-1-3-5-15/h1-12H,(H2,21,23)
InChIKeyHMXBBUVBUHSMTJ-UHFFFAOYSA-N
XLogP4.42
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine (CID 71037615) is 5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncn(-c5ccccc5)c4c3)ccc2o1.
What is the InChIKey of 5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine?
The InChIKey is HMXBBUVBUHSMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c21-20-23-17-10-13(7-9-19(17)25-20)14-6-8-16-18(11-14)24(12-22-16)15-4-2-1-3-5-15/h1-12H,(H2,21,23).
What are the key properties of 5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine?
5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine has a molecular weight of 326.36 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylbenzimidazol-5-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 71037615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).