N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide

C14H16N4O — CID 17250261

IUPACN-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide
SMILESCCC(=O)N/N=C(\C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H16N4O/c1-3-14(19)17-16-11(2)12-4-6-13(7-5-12)18-9-8-15-10-18/h4-10H,3H2,1-2H3,(H,17,19)/b16-11+
InChIKeySSCTTZOGDJSQNR-LFIBNONCSA-N
MW256.31 g/mol
LogP2.12
Rot. Bonds4

About N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide

N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide (PubChem CID 17250261) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide.

Molecular Properties

Compound NameN-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide
PubChem CID17250261
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide
SMILESCCC(=O)N/N=C(\C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H16N4O/c1-3-14(19)17-16-11(2)12-4-6-13(7-5-12)18-9-8-15-10-18/h4-10H,3H2,1-2H3,(H,17,19)/b16-11+
InChIKeySSCTTZOGDJSQNR-LFIBNONCSA-N
XLogP2.12
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.12
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

methyl N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]carbamate
CID 1471816
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide
CID 9060430
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3484364
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
CID 6042005
1-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-phenylthiourea
CID 86577640
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide
CID 6092650
2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 4238759
4-amino-3,5,6-trichloro-N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5098964
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
CID 6056611
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5455002
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine
CID 6061975

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide?
The IUPAC name of N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide (CID 17250261) is N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide.
What is the SMILES notation for N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide?
The canonical SMILES for N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide is CCC(=O)N/N=C(\C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide?
The InChIKey is SSCTTZOGDJSQNR-LFIBNONCSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-14(19)17-16-11(2)12-4-6-13(7-5-12)18-9-8-15-10-18/h4-10H,3H2,1-2H3,(H,17,19)/b16-11+.
What are the key properties of N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide?
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide has a molecular weight of 256.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide is sourced from PubChem (CID 17250261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).