4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide

C28H26N6O4 — CID 67686962

IUPAC4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1noc(COc2ccc3nc(-c4ccc(C(=O)Nc5ccc(N6CCOCC6)cc5)cc4)[nH]c3c2)n1
InChIInChI=1S/C28H26N6O4/c1-18-29-26(38-33-18)17-37-23-10-11-24-25(16-23)32-27(31-24)19-2-4-20(5-3-19)28(35)30-21-6-8-22(9-7-21)34-12-14-36-15-13-34/h2-11,16H,12-15,17H2,1H3,(H,30,35)(H,31,32)
InChIKeyODJHASKPYMKYLW-UHFFFAOYSA-N
MW510.55 g/mol
LogP4.59
Rot. Bonds7

About 4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide

4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 67686962) has the molecular formula C28H26N6O4 and a molecular weight of 510.55 g/mol. Its IUPAC name is 4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID67686962
Molecular FormulaC28H26N6O4
Molecular Weight510.55 g/mol
Exact Mass510.20
IUPAC Name4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1noc(COc2ccc3nc(-c4ccc(C(=O)Nc5ccc(N6CCOCC6)cc5)cc4)[nH]c3c2)n1
InChIInChI=1S/C28H26N6O4/c1-18-29-26(38-33-18)17-37-23-10-11-24-25(16-23)32-27(31-24)19-2-4-20(5-3-19)28(35)30-21-6-8-22(9-7-21)34-12-14-36-15-13-34/h2-11,16H,12-15,17H2,1H3,(H,30,35)(H,31,32)
InChIKeyODJHASKPYMKYLW-UHFFFAOYSA-N
XLogP4.59
TPSA118.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide (CID 67686962) is 4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide is Cc1noc(COc2ccc3nc(-c4ccc(C(=O)Nc5ccc(N6CCOCC6)cc5)cc4)[nH]c3c2)n1.
What is the InChIKey of 4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is ODJHASKPYMKYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O4/c1-18-29-26(38-33-18)17-37-23-10-11-24-25(16-23)32-27(31-24)19-2-4-20(5-3-19)28(35)30-21-6-8-22(9-7-21)34-12-14-36-15-13-34/h2-11,16H,12-15,17H2,1H3,(H,30,35)(H,31,32).
What are the key properties of 4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide?
4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 510.55 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 67686962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).