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

C20H20N4O — CID 5405994

IUPAC2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)Cn1c(C)nc2ccccc21)=C\c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15(12-17-8-4-3-5-9-17)13-21-23-20(25)14-24-16(2)22-18-10-6-7-11-19(18)24/h3-13H,14H2,1-2H3,(H,23,25)/b15-12+,21-13-
InChIKeyJISNCSCWBDGERG-NQNNONOWSA-N
MW332.41 g/mol
LogP3.55
Rot. Bonds5

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

2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 5405994) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID5405994
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)Cn1c(C)nc2ccccc21)=C\c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15(12-17-8-4-3-5-9-17)13-21-23-20(25)14-24-16(2)22-18-10-6-7-11-19(18)24/h3-13H,14H2,1-2H3,(H,23,25)/b15-12+,21-13-
InChIKeyJISNCSCWBDGERG-NQNNONOWSA-N
XLogP3.55
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.55
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-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (CID 5405994) is 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is CC(/C=N\NC(=O)Cn1c(C)nc2ccccc21)=C\c1ccccc1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is JISNCSCWBDGERG-NQNNONOWSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15(12-17-8-4-3-5-9-17)13-21-23-20(25)14-24-16(2)22-18-10-6-7-11-19(18)24/h3-13H,14H2,1-2H3,(H,23,25)/b15-12+,21-13-.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 332.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 5405994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).