N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

C18H15N5O2 — CID 3140709

IUPACN-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C18H15N5O2/c1-12(24)19-17-16(21-25-22-17)18-20-14-9-5-6-10-15(14)23(18)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22,24)
InChIKeyXKXKLQUEFACDDZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.09
Rot. Bonds4

About N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 3140709) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID3140709
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C18H15N5O2/c1-12(24)19-17-16(21-25-22-17)18-20-14-9-5-6-10-15(14)23(18)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22,24)
InChIKeyXKXKLQUEFACDDZ-UHFFFAOYSA-N
XLogP3.09
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (CID 3140709) is N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is XKXKLQUEFACDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-12(24)19-17-16(21-25-22-17)18-20-14-9-5-6-10-15(14)23(18)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22,24).
What are the key properties of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 333.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 3140709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).