3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide

C17H16N4O3 — CID 110743522

IUPAC3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)c1
InChIInChI=1S/C17H16N4O3/c1-10(22)18-12-5-3-4-11(8-12)16(23)19-13-6-7-15-14(9-13)20-17(24)21(15)2/h3-9H,1-2H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyQNXQGGIOTWDGEX-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.08
Rot. Bonds3

About 3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide

3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide (PubChem CID 110743522) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
PubChem CID110743522
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)c1
InChIInChI=1S/C17H16N4O3/c1-10(22)18-12-5-3-4-11(8-12)16(23)19-13-6-7-15-14(9-13)20-17(24)21(15)2/h3-9H,1-2H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyQNXQGGIOTWDGEX-UHFFFAOYSA-N
XLogP2.08
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
The IUPAC name of 3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide (CID 110743522) is 3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide.
What is the SMILES notation for 3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
The canonical SMILES for 3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)c1.
What is the InChIKey of 3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
The InChIKey is QNXQGGIOTWDGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10(22)18-12-5-3-4-11(8-12)16(23)19-13-6-7-15-14(9-13)20-17(24)21(15)2/h3-9H,1-2H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of 3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide has a molecular weight of 324.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide is sourced from PubChem (CID 110743522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).