2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide

C16H13ClN4O — CID 728512

IUPAC2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
SMILESO=C(Cn1cnc2ccccc21)NN=Cc1ccccc1Cl
InChIInChI=1S/C16H13ClN4O/c17-13-6-2-1-5-12(13)9-19-20-16(22)10-21-11-18-14-7-3-4-8-15(14)21/h1-9,11H,10H2,(H,20,22)
InChIKeyDOXKSYTXYOETFN-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.84
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide (PubChem CID 728512) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
PubChem CID728512
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
SMILESO=C(Cn1cnc2ccccc21)NN=Cc1ccccc1Cl
InChIInChI=1S/C16H13ClN4O/c17-13-6-2-1-5-12(13)9-19-20-16(22)10-21-11-18-14-7-3-4-8-15(14)21/h1-9,11H,10H2,(H,20,22)
InChIKeyDOXKSYTXYOETFN-UHFFFAOYSA-N
XLogP2.84
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(2-bromophenyl)methylideneamino]acetamide
CID 6264883
2-(benzimidazol-1-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 9121187
2-(benzimidazol-1-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135718335
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide
CID 9044974
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-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6861925
2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5395175
N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 75150430
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
2-(benzimidazol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136744917

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide (CID 728512) is 2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide is O=C(Cn1cnc2ccccc21)NN=Cc1ccccc1Cl.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide?
The InChIKey is DOXKSYTXYOETFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-13-6-2-1-5-12(13)9-19-20-16(22)10-21-11-18-14-7-3-4-8-15(14)21/h1-9,11H,10H2,(H,20,22).
What are the key properties of 2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide has a molecular weight of 312.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 728512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).