[1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate

C18H16N4O2 — CID 1487834

IUPAC[1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate
SMILESCC(=NOC(=O)Nc1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16N4O2/c1-14(21-24-18(23)20-16-5-3-2-4-6-16)15-7-9-17(10-8-15)22-12-11-19-13-22/h2-13H,1H3,(H,20,23)
InChIKeyXUEYLQHOYCUGOO-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.85
Rot. Bonds4

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

[1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate (PubChem CID 1487834) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is [1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate.

Molecular Properties

Compound Name[1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate
PubChem CID1487834
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name[1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate
SMILESCC(=NOC(=O)Nc1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16N4O2/c1-14(21-24-18(23)20-16-5-3-2-4-6-16)15-7-9-17(10-8-15)22-12-11-19-13-22/h2-13H,1H3,(H,20,23)
InChIKeyXUEYLQHOYCUGOO-UHFFFAOYSA-N
XLogP3.85
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-phenylthiourea
CID 86577640
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
methyl N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]carbamate
CID 1471816
2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 4238759
2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine
CID 6061975
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide
CID 17250261
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3484364
N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
CID 110471581
N-(4-imidazol-1-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 31409632
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide
CID 6092650
ethyl 2-(4-imidazol-1-ylanilino)-2-oxoacetate
CID 19438777

Frequently Asked Questions

What is the IUPAC name of [1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate?
The IUPAC name of [1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate (CID 1487834) is [1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate.
What is the SMILES notation for [1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate?
The canonical SMILES for [1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate is CC(=NOC(=O)Nc1ccccc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of [1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate?
The InChIKey is XUEYLQHOYCUGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-14(21-24-18(23)20-16-5-3-2-4-6-16)15-7-9-17(10-8-15)22-12-11-19-13-22/h2-13H,1H3,(H,20,23).
What are the key properties of [1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate?
[1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate has a molecular weight of 320.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate is sourced from PubChem (CID 1487834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).