2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide

C19H20N4O — CID 17086275

IUPAC2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
SMILESCC(C)/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-14(2)19(15-8-4-3-5-9-15)22-21-18(24)12-23-13-20-16-10-6-7-11-17(16)23/h3-11,13-14H,12H2,1-2H3,(H,21,24)/b22-19+
InChIKeyCQYCFTHGPJIYPS-ZBJSNUHESA-N
MW320.40 g/mol
LogP3.21
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide

2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide (PubChem CID 17086275) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
PubChem CID17086275
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
SMILESCC(C)/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-14(2)19(15-8-4-3-5-9-15)22-21-18(24)12-23-13-20-16-10-6-7-11-17(16)23/h3-11,13-14H,12H2,1-2H3,(H,21,24)/b22-19+
InChIKeyCQYCFTHGPJIYPS-ZBJSNUHESA-N
XLogP3.21
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.21
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)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 9121106
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 9121198
2-(benzimidazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5395231
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 9121197
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
4-[[2-(benzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81064314
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9121210
2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135816002
2-(benzimidazol-1-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 9121187
2-(benzimidazol-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 6264883

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide (CID 17086275) is 2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide is CC(C)/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide?
The InChIKey is CQYCFTHGPJIYPS-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H20N4O/c1-14(2)19(15-8-4-3-5-9-15)22-21-18(24)12-23-13-20-16-10-6-7-11-17(16)23/h3-11,13-14H,12H2,1-2H3,(H,21,24)/b22-19+.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide?
2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide has a molecular weight of 320.40 g/mol, XLogP of 3.21, 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)-(2-methyl-1-phenylpropylidene)amino]acetamide is sourced from PubChem (CID 17086275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).