2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide

C28H22N4O3 — CID 44523572

IUPAC2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C28H22N4O3/c29-27(34)22-11-1-4-14-25(22)35-17-26(33)30-21-10-6-8-19(16-21)18-7-5-9-20(15-18)28-31-23-12-2-3-13-24(23)32-28/h1-16H,17H2,(H2,29,34)(H,30,33)(H,31,32)
InChIKeyVFKJLJHJVDGIEL-UHFFFAOYSA-N
MW462.51 g/mol
LogP5.01
Rot. Bonds7

About 2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide

2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide (PubChem CID 44523572) has the molecular formula C28H22N4O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide
PubChem CID44523572
Molecular FormulaC28H22N4O3
Molecular Weight462.51 g/mol
Exact Mass462.17
IUPAC Name2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C28H22N4O3/c29-27(34)22-11-1-4-14-25(22)35-17-26(33)30-21-10-6-8-19(16-21)18-7-5-9-20(15-18)28-31-23-12-2-3-13-24(23)32-28/h1-16H,17H2,(H2,29,34)(H,30,33)(H,31,32)
InChIKeyVFKJLJHJVDGIEL-UHFFFAOYSA-N
XLogP5.01
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide (CID 44523572) is 2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of 2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide?
The InChIKey is VFKJLJHJVDGIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O3/c29-27(34)22-11-1-4-14-25(22)35-17-26(33)30-21-10-6-8-19(16-21)18-7-5-9-20(15-18)28-31-23-12-2-3-13-24(23)32-28/h1-16H,17H2,(H2,29,34)(H,30,33)(H,31,32).
What are the key properties of 2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide?
2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide has a molecular weight of 462.51 g/mol, XLogP of 5.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-(1H-benzimidazol-2-yl)phenyl]anilino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 44523572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).