2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide

C21H23N5O2 — CID 9121210

IUPAC2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1cnc2ccccc21)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H23N5O2/c1-16(17-6-8-18(9-7-17)25-10-12-28-13-11-25)23-24-21(27)14-26-15-22-19-4-2-3-5-20(19)26/h2-9,15H,10-14H2,1H3,(H,24,27)/b23-16-
InChIKeyDJFJGYKWYJOMHF-KQWNVCNZSA-N
MW377.45 g/mol
LogP2.41
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide (PubChem CID 9121210) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
PubChem CID9121210
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1cnc2ccccc21)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H23N5O2/c1-16(17-6-8-18(9-7-17)25-10-12-28-13-11-25)23-24-21(27)14-26-15-22-19-4-2-3-5-20(19)26/h2-9,15H,10-14H2,1H3,(H,24,27)/b23-16-
InChIKeyDJFJGYKWYJOMHF-KQWNVCNZSA-N
XLogP2.41
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5395231
2-(1-methylpyrrol-2-yl)-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 6076209
2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9255870
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide
CID 9121111
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 9121198
2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135816002
2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17086275
2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
CID 121137168
2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 6241165
4-(diethylamino)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 7929088

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide (CID 9121210) is 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)Cn1cnc2ccccc21)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
The InChIKey is DJFJGYKWYJOMHF-KQWNVCNZSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-16(17-6-8-18(9-7-17)25-10-12-28-13-11-25)23-24-21(27)14-26-15-22-19-4-2-3-5-20(19)26/h2-9,15H,10-14H2,1H3,(H,24,27)/b23-16-.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 9121210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).