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

C17H15N5O — CID 25024687

IUPAC5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CNc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C17H15N5O/c1-11-2-4-12(5-3-11)9-18-17-22-21-16(23-17)13-6-7-14-15(8-13)20-10-19-14/h2-8,10H,9H2,1H3,(H,18,22)(H,19,20)
InChIKeyORKNJDIGPCVHGG-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.53
Rot. Bonds4

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

5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 25024687) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID25024687
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CNc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C17H15N5O/c1-11-2-4-12(5-3-11)9-18-17-22-21-16(23-17)13-6-7-14-15(8-13)20-10-19-14/h2-8,10H,9H2,1H3,(H,18,22)(H,19,20)
InChIKeyORKNJDIGPCVHGG-UHFFFAOYSA-N
XLogP3.53
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 25024687) is 5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(CNc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ORKNJDIGPCVHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-2-4-12(5-3-11)9-18-17-22-21-16(23-17)13-6-7-14-15(8-13)20-10-19-14/h2-8,10H,9H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 305.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25024687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).