2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

C19H18N4O — CID 6861920

IUPAC2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(/C=N/NC(=O)Cn1cnc2ccccc21)=C\c1ccccc1
InChIInChI=1S/C19H18N4O/c1-15(11-16-7-3-2-4-8-16)12-21-22-19(24)13-23-14-20-17-9-5-6-10-18(17)23/h2-12,14H,13H2,1H3,(H,22,24)/b15-11+,21-12+
InChIKeyPOAAROIRKSJBID-BLXLCHOJSA-N
MW318.38 g/mol
LogP3.24
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6861920) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6861920
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(/C=N/NC(=O)Cn1cnc2ccccc21)=C\c1ccccc1
InChIInChI=1S/C19H18N4O/c1-15(11-16-7-3-2-4-8-16)12-21-22-19(24)13-23-14-20-17-9-5-6-10-18(17)23/h2-12,14H,13H2,1H3,(H,22,24)/b15-11+,21-12+
InChIKeyPOAAROIRKSJBID-BLXLCHOJSA-N
XLogP3.24
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (CID 6861920) is 2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is CC(/C=N/NC(=O)Cn1cnc2ccccc21)=C\c1ccccc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is POAAROIRKSJBID-BLXLCHOJSA-N. The full InChI is InChI=1S/C19H18N4O/c1-15(11-16-7-3-2-4-8-16)12-21-22-19(24)13-23-14-20-17-9-5-6-10-18(17)23/h2-12,14H,13H2,1H3,(H,22,24)/b15-11+,21-12+.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
2-(benzimidazol-1-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 318.38 g/mol, XLogP of 3.24, 5 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-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6861920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).