2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

C19H20N4O4 — CID 1184903

IUPAC2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(C=NNC(=O)Cn2cnc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-25-16-8-13(9-17(26-2)19(16)27-3)10-21-22-18(24)11-23-12-20-14-6-4-5-7-15(14)23/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyGIDZYLLHQMVMOG-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.21
Rot. Bonds7

About 2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 1184903) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID1184903
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(C=NNC(=O)Cn2cnc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-25-16-8-13(9-17(26-2)19(16)27-3)10-21-22-18(24)11-23-12-20-14-6-4-5-7-15(14)23/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyGIDZYLLHQMVMOG-UHFFFAOYSA-N
XLogP2.21
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136744917
2-(benzimidazol-1-yl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 17086257
2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135576859
2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 6900476
2-(benzimidazol-1-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 9121187
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 135541141
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide
CID 9044974
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-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5395175
2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide
CID 697064

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 1184903) is 2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1cc(C=NNC(=O)Cn2cnc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is GIDZYLLHQMVMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-25-16-8-13(9-17(26-2)19(16)27-3)10-21-22-18(24)11-23-12-20-14-6-4-5-7-15(14)23/h4-10,12H,11H2,1-3H3,(H,22,24).
What are the key properties of 2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 1184903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).