2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide

C27H28N4O5 — CID 3721695

IUPAC2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)Cn2c(Cc3ccc(OC)c(OC)c3)nc3ccccc32)cc1OC
InChIInChI=1S/C27H28N4O5/c1-33-22-11-9-18(13-24(22)35-3)15-26-29-20-7-5-6-8-21(20)31(26)17-27(32)30-28-16-19-10-12-23(34-2)25(14-19)36-4/h5-14,16H,15,17H2,1-4H3,(H,30,32)
InChIKeyDWBNMUXKKSNVTN-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.81
Rot. Bonds10

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

2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 3721695) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID3721695
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)Cn2c(Cc3ccc(OC)c(OC)c3)nc3ccccc32)cc1OC
InChIInChI=1S/C27H28N4O5/c1-33-22-11-9-18(13-24(22)35-3)15-26-29-20-7-5-6-8-21(20)31(26)17-27(32)30-28-16-19-10-12-23(34-2)25(14-19)36-4/h5-14,16H,15,17H2,1-4H3,(H,30,32)
InChIKeyDWBNMUXKKSNVTN-UHFFFAOYSA-N
XLogP3.81
TPSA96.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(2-hydroxy-1-methylindol-3-yl)methylideneamino]acetamide
CID 1388035
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(E)-(2-hydroxy-1-methylindol-3-yl)methylideneamino]acetamide
CID 135420696
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 135549588
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 127033876
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 135650533
N-[(Z)-(3-chloro-1-benzothiophen-2-yl)methylideneamino]-2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 6291179
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(1-hydroxy-4-nitronaphthalen-2-yl)methylideneamino]acetamide
CID 3587427
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032658
3-(1-benzylbenzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]propanamide
CID 66851454
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 136801937

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide (CID 3721695) is 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(C=NNC(=O)Cn2c(Cc3ccc(OC)c(OC)c3)nc3ccccc32)cc1OC.
What is the InChIKey of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is DWBNMUXKKSNVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-33-22-11-9-18(13-24(22)35-3)15-26-29-20-7-5-6-8-21(20)31(26)17-27(32)30-28-16-19-10-12-23(34-2)25(14-19)36-4/h5-14,16H,15,17H2,1-4H3,(H,30,32).
What are the key properties of 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide?
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 488.54 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3721695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).