2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide

C15H14N4O2 — CID 5343148

IUPAC2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)o1
InChIInChI=1S/C15H14N4O2/c1-11-6-7-12(21-11)8-17-18-15(20)9-19-10-16-13-4-2-3-5-14(13)19/h2-8,10H,9H2,1H3,(H,18,20)/b17-8+
InChIKeyHZIFFHKRTCPYPR-CAOOACKPSA-N
MW282.30 g/mol
LogP2.09
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide (PubChem CID 5343148) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
PubChem CID5343148
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)o1
InChIInChI=1S/C15H14N4O2/c1-11-6-7-12(21-11)8-17-18-15(20)9-19-10-16-13-4-2-3-5-14(13)19/h2-8,10H,9H2,1H3,(H,18,20)/b17-8+
InChIKeyHZIFFHKRTCPYPR-CAOOACKPSA-N
XLogP2.09
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide (CID 5343148) is 2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide is Cc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)o1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is HZIFFHKRTCPYPR-CAOOACKPSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-6-7-12(21-11)8-17-18-15(20)9-19-10-16-13-4-2-3-5-14(13)19/h2-8,10H,9H2,1H3,(H,18,20)/b17-8+.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5343148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).