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

C15H14N4O2 — CID 5395175

IUPAC2-(benzimidazol-1-yl)-N-[(Z)-(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-IUXPMGMMSA-N
MW282.30 g/mol
LogP2.09
Rot. Bonds4

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

2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide (PubChem CID 5395175) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
PubChem CID5395175
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(benzimidazol-1-yl)-N-[(Z)-(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-IUXPMGMMSA-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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Related Compounds

2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide
CID 697064
2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 6900476
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-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
2-(benzimidazol-1-yl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6861925
2-(benzimidazol-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 6264883
2-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 4854819
2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1184903
2-(benzimidazol-1-yl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 17086257
2-(benzimidazol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136744917
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5392838

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide (CID 5395175) is 2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide is Cc1ccc(/C=N\NC(=O)Cn2cnc3ccccc32)o1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is HZIFFHKRTCPYPR-IUXPMGMMSA-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-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(Z)-(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-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5395175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).