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

C19H18N6O3 — CID 11280377

IUPAC4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCO/N=C(/Cn1c(-c2nonc2N)nc2ccccc21)c1cccc(OC)c1
InChIInChI=1S/C19H18N6O3/c1-26-13-7-5-6-12(10-13)15(22-27-2)11-25-16-9-4-3-8-14(16)21-19(25)17-18(20)24-28-23-17/h3-10H,11H2,1-2H3,(H2,20,24)/b22-15-
InChIKeyRLKXBCCLWUJQAH-JCMHNJIXSA-N
MW378.39 g/mol
LogP2.73
Rot. Bonds6

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

4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 11280377) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID11280377
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCO/N=C(/Cn1c(-c2nonc2N)nc2ccccc21)c1cccc(OC)c1
InChIInChI=1S/C19H18N6O3/c1-26-13-7-5-6-12(10-13)15(22-27-2)11-25-16-9-4-3-8-14(16)21-19(25)17-18(20)24-28-23-17/h3-10H,11H2,1-2H3,(H2,20,24)/b22-15-
InChIKeyRLKXBCCLWUJQAH-JCMHNJIXSA-N
XLogP2.73
TPSA113.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 72806687
N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane
CID 173038968
N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane
CID 173038985
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-methylacetamide;methanamine;methyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate
CID 159638026
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 178070889
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135679495
ethyl 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]benzoate
CID 1017543
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135608245
[4-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
CID 124556815
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16762989
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 1130343
4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11462778

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 11280377) is 4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is CO/N=C(/Cn1c(-c2nonc2N)nc2ccccc21)c1cccc(OC)c1.
What is the InChIKey of 4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is RLKXBCCLWUJQAH-JCMHNJIXSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-26-13-7-5-6-12(10-13)15(22-27-2)11-25-16-9-4-3-8-14(16)21-19(25)17-18(20)24-28-23-17/h3-10H,11H2,1-2H3,(H2,20,24)/b22-15-.
What are the key properties of 4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 378.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 11280377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).