5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide

C12H15N5O2 — CID 146104021

IUPAC5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2nc3c([nH]2)CCCC3)no1
InChIInChI=1S/C12H15N5O2/c1-7-14-11(17-19-7)12(18)13-6-10-15-8-4-2-3-5-9(8)16-10/h2-6H2,1H3,(H,13,18)(H,15,16)
InChIKeyAXISJUZKFNWGFB-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.91
Rot. Bonds3

About 5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide

5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 146104021) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID146104021
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2nc3c([nH]2)CCCC3)no1
InChIInChI=1S/C12H15N5O2/c1-7-14-11(17-19-7)12(18)13-6-10-15-8-4-2-3-5-9(8)16-10/h2-6H2,1H3,(H,13,18)(H,15,16)
InChIKeyAXISJUZKFNWGFB-UHFFFAOYSA-N
XLogP0.91
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide (CID 146104021) is 5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)NCc2nc3c([nH]2)CCCC3)no1.
What is the InChIKey of 5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is AXISJUZKFNWGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-14-11(17-19-7)12(18)13-6-10-15-8-4-2-3-5-9(8)16-10/h2-6H2,1H3,(H,13,18)(H,15,16).
What are the key properties of 5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 146104021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).