N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide

C19H19N5O2 — CID 7043820

IUPACN-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
SMILESCC(=O)Nc1ccc(C=NNC(=O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C19H19N5O2/c1-13(25)21-15-9-7-14(8-10-15)12-20-23-19(26)11-18-22-16-5-3-4-6-17(16)24(18)2/h3-10,12H,11H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyBFXIWSQKEXOSOG-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.22
Rot. Bonds5

About N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide

N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide (PubChem CID 7043820) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
PubChem CID7043820
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
SMILESCC(=O)Nc1ccc(C=NNC(=O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C19H19N5O2/c1-13(25)21-15-9-7-14(8-10-15)12-20-23-19(26)11-18-22-16-5-3-4-6-17(16)24(18)2/h3-10,12H,11H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyBFXIWSQKEXOSOG-UHFFFAOYSA-N
XLogP2.22
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 29171729
4-[(E)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 18267442
2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 42992721
2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 18227477
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 4840051
2-(1-methylbenzimidazol-2-yl)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 42992725
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 18228796
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 18282815
N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 21264572
N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 46804372
N-[(4-chlorophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1354657
N-[(4-acetamidophenyl)methylideneamino]-2-hydroxyacetamide
CID 20982377

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide (CID 7043820) is N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide is CC(=O)Nc1ccc(C=NNC(=O)Cc2nc3ccccc3n2C)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The InChIKey is BFXIWSQKEXOSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13(25)21-15-9-7-14(8-10-15)12-20-23-19(26)11-18-22-16-5-3-4-6-17(16)24(18)2/h3-10,12H,11H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 7043820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).