7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide

C27H24N6O4 — CID 42434929

IUPAC7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)NCc2nc(-c3ccccc3)no2)cc2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C27H24N6O4/c1-33-24-20(29-22(34)16-36-2)13-19(14-21(24)30-26(33)18-11-7-4-8-12-18)27(35)28-15-23-31-25(32-37-23)17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3,(H,28,35)(H,29,34)
InChIKeyCHYGWFYSQXACHN-UHFFFAOYSA-N
MW496.53 g/mol
LogP3.81
Rot. Bonds8

About 7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide

7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide (PubChem CID 42434929) has the molecular formula C27H24N6O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is 7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide
PubChem CID42434929
Molecular FormulaC27H24N6O4
Molecular Weight496.53 g/mol
Exact Mass496.19
IUPAC Name7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)NCc2nc(-c3ccccc3)no2)cc2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C27H24N6O4/c1-33-24-20(29-22(34)16-36-2)13-19(14-21(24)30-26(33)18-11-7-4-8-12-18)27(35)28-15-23-31-25(32-37-23)17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3,(H,28,35)(H,29,34)
InChIKeyCHYGWFYSQXACHN-UHFFFAOYSA-N
XLogP3.81
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53172597
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
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N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6463833
ethyl 4-methyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylcarbamothioylamino]benzoate
CID 100758330
3-(methoxymethyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 134042967
phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322864
2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide (CID 42434929) is 7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide is COCC(=O)Nc1cc(C(=O)NCc2nc(-c3ccccc3)no2)cc2nc(-c3ccccc3)n(C)c12.
What is the InChIKey of 7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide?
The InChIKey is CHYGWFYSQXACHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O4/c1-33-24-20(29-22(34)16-36-2)13-19(14-21(24)30-26(33)18-11-7-4-8-12-18)27(35)28-15-23-31-25(32-37-23)17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3,(H,28,35)(H,29,34).
What are the key properties of 7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide?
7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide has a molecular weight of 496.53 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyacetyl)amino]-1-methyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 42434929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).