4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C16H13N5O2 — CID 46883124

IUPAC4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccccc1-n1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C16H13N5O2/c1-22-13-9-5-4-8-12(13)21-11-7-3-2-6-10(11)18-16(21)14-15(17)20-23-19-14/h2-9H,1H3,(H2,17,20)
InChIKeyMBCVVXAAKKFOLG-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.67
Rot. Bonds3

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

4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 46883124) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID46883124
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccccc1-n1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C16H13N5O2/c1-22-13-9-5-4-8-12(13)21-11-7-3-2-6-10(11)18-16(21)14-15(17)20-23-19-14/h2-9H,1H3,(H2,17,20)
InChIKeyMBCVVXAAKKFOLG-UHFFFAOYSA-N
XLogP2.67
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 46883124) is 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is COc1ccccc1-n1c(-c2nonc2N)nc2ccccc21.
What is the InChIKey of 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is MBCVVXAAKKFOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-22-13-9-5-4-8-12(13)21-11-7-3-2-6-10(11)18-16(21)14-15(17)20-23-19-14/h2-9H,1H3,(H2,17,20).
What are the key properties of 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 307.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 46883124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).