2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide

C20H22N4O — CID 6900476

IUPAC2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1
InChIInChI=1S/C20H22N4O/c1-20(2,3)16-10-8-15(9-11-16)12-22-23-19(25)13-24-14-21-17-6-4-5-7-18(17)24/h4-12,14H,13H2,1-3H3,(H,23,25)/b22-12+
InChIKeyUURLUZVNOMOIGE-WSDLNYQXSA-N
MW334.42 g/mol
LogP3.48
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide (PubChem CID 6900476) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
PubChem CID6900476
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1
InChIInChI=1S/C20H22N4O/c1-20(2,3)16-10-8-15(9-11-16)12-22-23-19(25)13-24-14-21-17-6-4-5-7-18(17)24/h4-12,14H,13H2,1-3H3,(H,23,25)/b22-12+
InChIKeyUURLUZVNOMOIGE-WSDLNYQXSA-N
XLogP3.48
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.48
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)-(4-phenylphenyl)methylideneamino]acetamide
CID 9121187
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide
CID 9044974
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-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5395175
2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1184903
2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide
CID 697064
2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135576859
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

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide (CID 6900476) is 2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide is CC(C)(C)c1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide?
The InChIKey is UURLUZVNOMOIGE-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(2,3)16-10-8-15(9-11-16)12-22-23-19(25)13-24-14-21-17-6-4-5-7-18(17)24/h4-12,14H,13H2,1-3H3,(H,23,25)/b22-12+.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.48, 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-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6900476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).