2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane

C16H21ClN4O — CID 176988476

IUPAC2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane
SMILESC=C(C)CC1N=C(N/N=C/c2ccc(Cl)cc2)NC1=O.CC
InChIInChI=1S/C14H15ClN4O.C2H6/c1-9(2)7-12-13(20)18-14(17-12)19-16-8-10-3-5-11(15)6-4-10;1-2/h3-6,8,12H,1,7H2,2H3,(H2,17,18,19,20);1-2H3/b16-8+;
InChIKeyGRBUOANEXIOIRE-OHGISNTKSA-N
MW320.82 g/mol
LogP3.11
Rot. Bonds4

About 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane

2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane (PubChem CID 176988476) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane.

Molecular Properties

Compound Name2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane
PubChem CID176988476
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane
SMILESC=C(C)CC1N=C(N/N=C/c2ccc(Cl)cc2)NC1=O.CC
InChIInChI=1S/C14H15ClN4O.C2H6/c1-9(2)7-12-13(20)18-14(17-12)19-16-8-10-3-5-11(15)6-4-10;1-2/h3-6,8,12H,1,7H2,2H3,(H2,17,18,19,20);1-2H3/b16-8+;
InChIKeyGRBUOANEXIOIRE-OHGISNTKSA-N
XLogP3.11
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-2-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 53370231
N-(3-chlorophenyl)-2-[(4R)-2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 136887834
[4-[(E)-[[5-methylidene-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-2-yl]hydrazinylidene]methyl]phenyl] cyanate
CID 176988493
2-[(4S)-2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chlorophenyl)acetamide
CID 52902927
2-[(4S)-2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,4-difluorophenyl)acetamide
CID 52902360
8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylprop-2-enyl)-4,5-dihydropurine-2,6-dione
CID 156590962
N-(2-fluorophenyl)-2-[2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 53370170
1-[2-[(2E)-2-[(4-aminophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one
CID 176988449
N-(2-chlorophenyl)-2-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]acetamide
CID 71964703
2-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 135634438
2-[2-[(2E)-2-benzylidenehydrazinyl]-5-oxo-1,4-dihydroimidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53368977
8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 45043469

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane?
The IUPAC name of 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane (CID 176988476) is 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane.
What is the SMILES notation for 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane?
The canonical SMILES for 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane is C=C(C)CC1N=C(N/N=C/c2ccc(Cl)cc2)NC1=O.CC.
What is the InChIKey of 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane?
The InChIKey is GRBUOANEXIOIRE-OHGISNTKSA-N. The full InChI is InChI=1S/C14H15ClN4O.C2H6/c1-9(2)7-12-13(20)18-14(17-12)19-16-8-10-3-5-11(15)6-4-10;1-2/h3-6,8,12H,1,7H2,2H3,(H2,17,18,19,20);1-2H3/b16-8+;.
What are the key properties of 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane?
2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane has a molecular weight of 320.82 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-(2-methylprop-2-enyl)-1,4-dihydroimidazol-5-one;ethane is sourced from PubChem (CID 176988476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).