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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Related Compounds

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CID 445756
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CID 563347
CID 563347
CID 607858
CID 607858
CID 1221687
CID 1221687
CID 599038
CID 599038
CID 1043331
CID 1043331
CID 606555
CID 606555
CID 753058
CID 753058
CID 759305
CID 759305

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).