4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

C16H13N5O — CID 561320

IUPAC4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H13N5O/c17-15-14(19-22-20-15)16-18-12-8-4-5-9-13(12)21(16)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20)
InChIKeyFAIVIYCNLYZSDO-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.72
Rot. Bonds3

About 4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 561320) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID561320
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H13N5O/c17-15-14(19-22-20-15)16-18-12-8-4-5-9-13(12)21(16)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20)
InChIKeyFAIVIYCNLYZSDO-UHFFFAOYSA-N
XLogP2.72
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 561320) is 4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is FAIVIYCNLYZSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c17-15-14(19-22-20-15)16-18-12-8-4-5-9-13(12)21(16)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,20).
What are the key properties of 4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 291.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 561320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).