N-[3-(benzimidazol-2-ylidene)propyl]acetamide

C12H13N3O — CID 91529045

IUPACN-[3-(benzimidazol-2-ylidene)propyl]acetamide
SMILESCC(=O)NCCC=C1N=c2ccccc2=N1
InChIInChI=1S/C12H13N3O/c1-9(16)13-8-4-7-12-14-10-5-2-3-6-11(10)15-12/h2-3,5-7H,4,8H2,1H3,(H,13,16)
InChIKeyNXTOAKJPSREPKX-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.31
Rot. Bonds3

About N-[3-(benzimidazol-2-ylidene)propyl]acetamide

N-[3-(benzimidazol-2-ylidene)propyl]acetamide (PubChem CID 91529045) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[3-(benzimidazol-2-ylidene)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-2-ylidene)propyl]acetamide
PubChem CID91529045
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[3-(benzimidazol-2-ylidene)propyl]acetamide
SMILESCC(=O)NCCC=C1N=c2ccccc2=N1
InChIInChI=1S/C12H13N3O/c1-9(16)13-8-4-7-12-14-10-5-2-3-6-11(10)15-12/h2-3,5-7H,4,8H2,1H3,(H,13,16)
InChIKeyNXTOAKJPSREPKX-UHFFFAOYSA-N
XLogP0.31
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-2-ylidene)propyl]acetamide?
The IUPAC name of N-[3-(benzimidazol-2-ylidene)propyl]acetamide (CID 91529045) is N-[3-(benzimidazol-2-ylidene)propyl]acetamide.
What is the SMILES notation for N-[3-(benzimidazol-2-ylidene)propyl]acetamide?
The canonical SMILES for N-[3-(benzimidazol-2-ylidene)propyl]acetamide is CC(=O)NCCC=C1N=c2ccccc2=N1.
What is the InChIKey of N-[3-(benzimidazol-2-ylidene)propyl]acetamide?
The InChIKey is NXTOAKJPSREPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9(16)13-8-4-7-12-14-10-5-2-3-6-11(10)15-12/h2-3,5-7H,4,8H2,1H3,(H,13,16).
What are the key properties of N-[3-(benzimidazol-2-ylidene)propyl]acetamide?
N-[3-(benzimidazol-2-ylidene)propyl]acetamide has a molecular weight of 215.26 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-2-ylidene)propyl]acetamide is sourced from PubChem (CID 91529045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).