2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide

C14H12N4O2 — CID 697064

IUPAC2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide
SMILESO=C(Cn1cnc2ccccc21)NN=Cc1ccco1
InChIInChI=1S/C14H12N4O2/c19-14(17-16-8-11-4-3-7-20-11)9-18-10-15-12-5-1-2-6-13(12)18/h1-8,10H,9H2,(H,17,19)
InChIKeyQCTSYWUGMJRLFV-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.78
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide

2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide (PubChem CID 697064) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide
PubChem CID697064
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide
SMILESO=C(Cn1cnc2ccccc21)NN=Cc1ccco1
InChIInChI=1S/C14H12N4O2/c19-14(17-16-8-11-4-3-7-20-11)9-18-10-15-12-5-1-2-6-13(12)18/h1-8,10H,9H2,(H,17,19)
InChIKeyQCTSYWUGMJRLFV-UHFFFAOYSA-N
XLogP1.78
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.78
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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Related Compounds

2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5395175
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 6900476
2-(benzimidazol-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 6264883
2-(benzimidazol-1-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 9121187
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide
CID 9044974
2-(benzimidazol-1-yl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6861925
2-(benzimidazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5395231
2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1184903
2-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 4854819
N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 5344429
2-(benzimidazol-1-yl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 17086257

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide (CID 697064) is 2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide is O=C(Cn1cnc2ccccc21)NN=Cc1ccco1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide?
The InChIKey is QCTSYWUGMJRLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-14(17-16-8-11-4-3-7-20-11)9-18-10-15-12-5-1-2-6-13(12)18/h1-8,10H,9H2,(H,17,19).
What are the key properties of 2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide?
2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.78, 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-(furan-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 697064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).