5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide

C17H17ClN4O5 — CID 9273581

IUPAC5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide
SMILESCC1(C)NC(=O)N(CCC(=O)NNC(=O)c2cc3cc(Cl)ccc3o2)C1=O
InChIInChI=1S/C17H17ClN4O5/c1-17(2)15(25)22(16(26)19-17)6-5-13(23)20-21-14(24)12-8-9-7-10(18)3-4-11(9)27-12/h3-4,7-8H,5-6H2,1-2H3,(H,19,26)(H,20,23)(H,21,24)
InChIKeyZYXNAXQAOPNYJG-UHFFFAOYSA-N
MW392.80 g/mol
LogP1.57
Rot. Bonds4

About 5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide

5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide (PubChem CID 9273581) has the molecular formula C17H17ClN4O5 and a molecular weight of 392.80 g/mol. Its IUPAC name is 5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide
PubChem CID9273581
Molecular FormulaC17H17ClN4O5
Molecular Weight392.80 g/mol
Exact Mass392.09
IUPAC Name5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide
SMILESCC1(C)NC(=O)N(CCC(=O)NNC(=O)c2cc3cc(Cl)ccc3o2)C1=O
InChIInChI=1S/C17H17ClN4O5/c1-17(2)15(25)22(16(26)19-17)6-5-13(23)20-21-14(24)12-8-9-7-10(18)3-4-11(9)27-12/h3-4,7-8H,5-6H2,1-2H3,(H,19,26)(H,20,23)(H,21,24)
InChIKeyZYXNAXQAOPNYJG-UHFFFAOYSA-N
XLogP1.57
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 46814950
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 9273561
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213512
4-[(4-chlorophenoxy)methyl]-N'-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]benzohydrazide
CID 24514091
[2-(4-chloroanilino)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8656733
(2,4-dichlorophenyl)methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703126
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8658014
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213505
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703268
5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 9323491
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
1-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]-3-(2-phenylethyl)thiourea
CID 9053941

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide (CID 9273581) is 5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide is CC1(C)NC(=O)N(CCC(=O)NNC(=O)c2cc3cc(Cl)ccc3o2)C1=O.
What is the InChIKey of 5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is ZYXNAXQAOPNYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O5/c1-17(2)15(25)22(16(26)19-17)6-5-13(23)20-21-14(24)12-8-9-7-10(18)3-4-11(9)27-12/h3-4,7-8H,5-6H2,1-2H3,(H,19,26)(H,20,23)(H,21,24).
What are the key properties of 5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide?
5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 392.80 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9273581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).