1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine

C26H24Cl2N4O — CID 157385774

IUPAC1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine
SMILESNNC1=NCC(c2ccccc2)N1.O=C(C=Cc1ccc(Cl)cc1)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2O.C9H12N4/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14;10-13-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-12H;1-5,8H,6,10H2,(H2,11,12,13)
InChIKeyBLKHCEUGQUJXPG-UHFFFAOYSA-N
MW479.41 g/mol
LogP5.44
Rot. Bonds5

About 1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine

1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine (PubChem CID 157385774) has the molecular formula C26H24Cl2N4O and a molecular weight of 479.41 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine
PubChem CID157385774
Molecular FormulaC26H24Cl2N4O
Molecular Weight479.41 g/mol
Exact Mass478.13
IUPAC Name1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine
SMILESNNC1=NCC(c2ccccc2)N1.O=C(C=Cc1ccc(Cl)cc1)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2O.C9H12N4/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14;10-13-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-12H;1-5,8H,6,10H2,(H2,11,12,13)
InChIKeyBLKHCEUGQUJXPG-UHFFFAOYSA-N
XLogP5.44
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.41
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichlorophenyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 139792488
(E)-3-(4-chlorophenyl)-1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)prop-2-en-1-one
CID 121192034
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(1E,4Z)-1-(4-chlorophenyl)-5-(dimethylamino)penta-1,4-dien-3-one
CID 92898014
N-[[(1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-ylidene]amino]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 21417097
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine?
The IUPAC name of 1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine (CID 157385774) is 1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine?
The canonical SMILES for 1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine is NNC1=NCC(c2ccccc2)N1.O=C(C=Cc1ccc(Cl)cc1)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine?
The InChIKey is BLKHCEUGQUJXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O.C9H12N4/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14;10-13-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-12H;1-5,8H,6,10H2,(H2,11,12,13).
What are the key properties of 1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine?
1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine has a molecular weight of 479.41 g/mol, XLogP of 5.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one;(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine is sourced from PubChem (CID 157385774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).