N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide

C19H18N4O2 — CID 30507763

IUPACN'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cncn2-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O2/c1-2-14-8-10-15(11-9-14)18(24)21-22-19(25)17-12-20-13-23(17)16-6-4-3-5-7-16/h3-13H,2H2,1H3,(H,21,24)(H,22,25)
InChIKeyWOQGDXMPYNGMKK-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.51
Rot. Bonds4

About N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide

N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide (PubChem CID 30507763) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide
PubChem CID30507763
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cncn2-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O2/c1-2-14-8-10-15(11-9-14)18(24)21-22-19(25)17-12-20-13-23(17)16-6-4-3-5-7-16/h3-13H,2H2,1H3,(H,21,24)(H,22,25)
InChIKeyWOQGDXMPYNGMKK-UHFFFAOYSA-N
XLogP2.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide
CID 17473757
3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
CID 9418541
(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate
CID 26965172
1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea
CID 71898793
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide
CID 55876077
N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide
CID 106167148
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
3-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
CID 37294346

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide?
The IUPAC name of N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide (CID 30507763) is N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide?
The canonical SMILES for N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide is CCc1ccc(C(=O)NNC(=O)c2cncn2-c2ccccc2)cc1.
What is the InChIKey of N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide?
The InChIKey is WOQGDXMPYNGMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-14-8-10-15(11-9-14)18(24)21-22-19(25)17-12-20-13-23(17)16-6-4-3-5-7-16/h3-13H,2H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide?
N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide has a molecular weight of 334.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide is sourced from PubChem (CID 30507763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).