3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide

C26H19FN4O2S — CID 44523587

IUPAC3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)c2)c1
InChIInChI=1S/C26H19FN4O2S/c1-15(32)28-19-6-3-5-17(13-19)26(33)29-20-7-2-4-16(12-20)23-10-11-24(34-23)25-30-21-9-8-18(27)14-22(21)31-25/h2-14H,1H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyJMTOQDVOMANNSN-UHFFFAOYSA-N
MW470.53 g/mol
LogP6.31
Rot. Bonds5

About 3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide

3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide (PubChem CID 44523587) has the molecular formula C26H19FN4O2S and a molecular weight of 470.53 g/mol. Its IUPAC name is 3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide
PubChem CID44523587
Molecular FormulaC26H19FN4O2S
Molecular Weight470.53 g/mol
Exact Mass470.12
IUPAC Name3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)c2)c1
InChIInChI=1S/C26H19FN4O2S/c1-15(32)28-19-6-3-5-17(13-19)26(33)29-20-7-2-4-16(12-20)23-10-11-24(34-23)25-30-21-9-8-18(27)14-22(21)31-25/h2-14H,1H3,(H,28,32)(H,29,33)(H,30,31)
InChIKeyJMTOQDVOMANNSN-UHFFFAOYSA-N
XLogP6.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide (CID 44523587) is 3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)c2)c1.
What is the InChIKey of 3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide?
The InChIKey is JMTOQDVOMANNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O2S/c1-15(32)28-19-6-3-5-17(13-19)26(33)29-20-7-2-4-16(12-20)23-10-11-24(34-23)25-30-21-9-8-18(27)14-22(21)31-25/h2-14H,1H3,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of 3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide?
3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide has a molecular weight of 470.53 g/mol, XLogP of 6.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]benzamide is sourced from PubChem (CID 44523587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).