1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine

C18H17N5O — CID 155523262

IUPAC1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
SMILESCc1nc(CNc2nc3ccccc3n2Cc2ccccc2)no1
InChIInChI=1S/C18H17N5O/c1-13-20-17(22-24-13)11-19-18-21-15-9-5-6-10-16(15)23(18)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyUUWPYAYLFKSJOR-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.39
Rot. Bonds5

About 1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine

1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine (PubChem CID 155523262) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
PubChem CID155523262
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
SMILESCc1nc(CNc2nc3ccccc3n2Cc2ccccc2)no1
InChIInChI=1S/C18H17N5O/c1-13-20-17(22-24-13)11-19-18-21-15-9-5-6-10-16(15)23(18)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyUUWPYAYLFKSJOR-UHFFFAOYSA-N
XLogP3.39
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine (CID 155523262) is 1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine is Cc1nc(CNc2nc3ccccc3n2Cc2ccccc2)no1.
What is the InChIKey of 1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is UUWPYAYLFKSJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-20-17(22-24-13)11-19-18-21-15-9-5-6-10-16(15)23(18)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,21).
What are the key properties of 1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 319.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 155523262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).