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

C16H13N5O2 — CID 46883125

IUPAC4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(-n2c(-c3nonc3N)nc3ccccc32)cc1
InChIInChI=1S/C16H13N5O2/c1-22-11-8-6-10(7-9-11)21-13-5-3-2-4-12(13)18-16(21)14-15(17)20-23-19-14/h2-9H,1H3,(H2,17,20)
InChIKeyWLUGHEQVBSMPNH-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.67
Rot. Bonds3

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

4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 46883125) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID46883125
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCOc1ccc(-n2c(-c3nonc3N)nc3ccccc32)cc1
InChIInChI=1S/C16H13N5O2/c1-22-11-8-6-10(7-9-11)21-13-5-3-2-4-12(13)18-16(21)14-15(17)20-23-19-14/h2-9H,1H3,(H2,17,20)
InChIKeyWLUGHEQVBSMPNH-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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Related Compounds

4-{1-ethyl-6-phenoxy-1H-imidazo[4,5-c]pyridin-2-yl}-1,2,5-oxadiazol-3-amine
CID 16099843
2-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 667675
4-Amino-3-(4-methoxyphenyl)-5-(1-methyl-1H-benzimidazol-2-YL)-1,3-thiazole-2(3H)-thione
CID 1285301
1-(4-Methoxyphenyl)-1H-benzimidazol-2-amine
CID 43148821
1-(2-methoxyphenyl)-1H-1,3-benzodiazol-2-amine
CID 43148827
1-(4-methoxyphenyl)-1H-benzimidazole
CID 743942
(4-Methoxy-phenyl)-(1-methyl-1H-benzoimidazol-2-ylmethyl)-amine
CID 797033
2-Methyl-1-[2-(4-nitrophenoxy)ethyl]benzimidazole
CID 771866
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide
CID 870180
4-[1-(5-methoxy-2-methylbenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 971438
1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine
CID 1124052
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(2-butoxyphenyl)acetamide
CID 3240826

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 46883125) is 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is COc1ccc(-n2c(-c3nonc3N)nc3ccccc32)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is WLUGHEQVBSMPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-22-11-8-6-10(7-9-11)21-13-5-3-2-4-12(13)18-16(21)14-15(17)20-23-19-14/h2-9H,1H3,(H2,17,20).
What are the key properties of 4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-(4-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-(4-methoxyphenyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 46883125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).