N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide

C18H14N4O4 — CID 17473757

IUPACN'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cncn1-c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N4O4/c23-17(12-6-7-15-16(8-12)26-11-25-15)20-21-18(24)14-9-19-10-22(14)13-4-2-1-3-5-13/h1-10H,11H2,(H,20,23)(H,21,24)
InChIKeyDFLAECSHBJSRCH-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.68
Rot. Bonds3

About N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide

N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide (PubChem CID 17473757) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide
PubChem CID17473757
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC NameN'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cncn1-c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N4O4/c23-17(12-6-7-15-16(8-12)26-11-25-15)20-21-18(24)14-9-19-10-22(14)13-4-2-1-3-5-13/h1-10H,11H2,(H,20,23)(H,21,24)
InChIKeyDFLAECSHBJSRCH-UHFFFAOYSA-N
XLogP1.68
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3-phenylimidazole-4-carboxamide
CID 71685686
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17419223
N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 24658343
N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide
CID 17388270
1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea
CID 71898793
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 4796127
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 4789720
N'-[3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4782873
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 55773047
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
CID 37294346

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide?
The IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide (CID 17473757) is N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide.
What is the SMILES notation for N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide?
The canonical SMILES for N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide is O=C(NNC(=O)c1cncn1-c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide?
The InChIKey is DFLAECSHBJSRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c23-17(12-6-7-15-16(8-12)26-11-25-15)20-21-18(24)14-9-19-10-22(14)13-4-2-1-3-5-13/h1-10H,11H2,(H,20,23)(H,21,24).
What are the key properties of N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide?
N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide has a molecular weight of 350.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide is sourced from PubChem (CID 17473757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).