1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one

C21H27ClN4O2 — CID 67835051

IUPAC1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one
SMILESCN(C)CCCCN1CCN(N=CCc2ccc(-c3ccc(Cl)cc3)o2)C1=O
InChIInChI=1S/C21H27ClN4O2/c1-24(2)13-3-4-14-25-15-16-26(21(25)27)23-12-11-19-9-10-20(28-19)17-5-7-18(22)8-6-17/h5-10,12H,3-4,11,13-16H2,1-2H3
InChIKeyHPMWPBWLYBPWHG-UHFFFAOYSA-N
MW402.93 g/mol
LogP4.21
Rot. Bonds9

About 1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one

1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one (PubChem CID 67835051) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one
PubChem CID67835051
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC Name1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one
SMILESCN(C)CCCCN1CCN(N=CCc2ccc(-c3ccc(Cl)cc3)o2)C1=O
InChIInChI=1S/C21H27ClN4O2/c1-24(2)13-3-4-14-25-15-16-26(21(25)27)23-12-11-19-9-10-20(28-19)17-5-7-18(22)8-6-17/h5-10,12H,3-4,11,13-16H2,1-2H3
InChIKeyHPMWPBWLYBPWHG-UHFFFAOYSA-N
XLogP4.21
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Azimilide
CID 9571004
Azimilide Dihydrochloride
CID 9571003
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione;hydrochloride
CID 18004024
2,4-Imidazolidinedione, 1-(((5-(4-chlorophenyl)-2-furanyl)methylene)amino)-
CID 9577585
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(4-piperazin-1-ylbutyl)imidazolidine-2,4-dione
CID 10388708
N'-{[5-(3,4-dichlorophenyl)-2-furyl]methylene}-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 5349197
Pyrrolidin-1-yl-acetic acid [5-(3-chloro-phenyl)-furan-2-ylmethylene]-hydrazide
CID 6871468
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
CID 60939
2,4-Imidazolidinedione, 3-(3-amino-1-oxopropyl)-1-(((5-(4-chlorophenyl)-2-furanyl)methylene)amino)-, monohydrochloride
CID 9570713
2,4-Imidazolidinedione, 3-(3-amino-1-oxopropyl)-1-(((5-(3,4-dichlorophenyl)-2-furanyl)methylene)amino)-, monohydrochloride
CID 9570842
Clodanolene sodium
CID 23703104
1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)butyl]imidazolidine-2,4-dione
CID 154699799

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one (CID 67835051) is 1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one is CN(C)CCCCN1CCN(N=CCc2ccc(-c3ccc(Cl)cc3)o2)C1=O.
What is the InChIKey of 1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one?
The InChIKey is HPMWPBWLYBPWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O2/c1-24(2)13-3-4-14-25-15-16-26(21(25)27)23-12-11-19-9-10-20(28-19)17-5-7-18(22)8-6-17/h5-10,12H,3-4,11,13-16H2,1-2H3.
What are the key properties of 1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one?
1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one has a molecular weight of 402.93 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-chlorophenyl)furan-2-yl]ethylideneamino]-3-[4-(dimethylamino)butyl]imidazolidin-2-one is sourced from PubChem (CID 67835051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).