N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide

C17H16N4O2 — CID 763483

IUPACN-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H16N4O2/c1-10(22)18-13-7-12(8-14(9-13)19-11(2)23)17-20-15-5-3-4-6-16(15)21-17/h3-9H,1-2H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyIQYLSCVPLYXDDQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.15
Rot. Bonds3

About N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide

N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide (PubChem CID 763483) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide
PubChem CID763483
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H16N4O2/c1-10(22)18-13-7-12(8-14(9-13)19-11(2)23)17-20-15-5-3-4-6-16(15)21-17/h3-9H,1-2H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyIQYLSCVPLYXDDQ-UHFFFAOYSA-N
XLogP3.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide (CID 763483) is N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide is CC(=O)Nc1cc(NC(C)=O)cc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide?
The InChIKey is IQYLSCVPLYXDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10(22)18-13-7-12(8-14(9-13)19-11(2)23)17-20-15-5-3-4-6-16(15)21-17/h3-9H,1-2H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide?
N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide has a molecular weight of 308.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-(1H-benzimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 763483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).