4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one

C14H15ClN4O — CID 176988438

IUPAC4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one
SMILESC=C(Cl)CC1N=C(N/N=C/c2ccc(C)cc2)NC1=O
InChIInChI=1S/C14H15ClN4O/c1-9-3-5-11(6-4-9)8-16-19-14-17-12(7-10(2)15)13(20)18-14/h3-6,8,12H,2,7H2,1H3,(H2,17,18,19,20)/b16-8+
InChIKeyFEEUYOGILYEJHH-LZYBPNLTSA-N
MW290.75 g/mol
LogP1.92
Rot. Bonds4

About 4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one

4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one (PubChem CID 176988438) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one
PubChem CID176988438
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one
SMILESC=C(Cl)CC1N=C(N/N=C/c2ccc(C)cc2)NC1=O
InChIInChI=1S/C14H15ClN4O/c1-9-3-5-11(6-4-9)8-16-19-14-17-12(7-10(2)15)13(20)18-14/h3-6,8,12H,2,7H2,1H3,(H2,17,18,19,20)/b16-8+
InChIKeyFEEUYOGILYEJHH-LZYBPNLTSA-N
XLogP1.92
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one (CID 176988438) is 4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one is C=C(Cl)CC1N=C(N/N=C/c2ccc(C)cc2)NC1=O.
What is the InChIKey of 4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one?
The InChIKey is FEEUYOGILYEJHH-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9-3-5-11(6-4-9)8-16-19-14-17-12(7-10(2)15)13(20)18-14/h3-6,8,12H,2,7H2,1H3,(H2,17,18,19,20)/b16-8+.
What are the key properties of 4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one?
4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one has a molecular weight of 290.75 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enyl)-2-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 176988438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).