1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea

C28H28N4O4 — CID 166182728

IUPAC1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
SMILESCC1(c2ccc(CNC(=O)NCc3ccc(-c4ccc5c(c4)CCCO5)cc3)cc2)NC(=O)NC1=O
InChIInChI=1S/C28H28N4O4/c1-28(25(33)31-27(35)32-28)23-11-6-19(7-12-23)17-30-26(34)29-16-18-4-8-20(9-5-18)21-10-13-24-22(15-21)3-2-14-36-24/h4-13,15H,2-3,14,16-17H2,1H3,(H2,29,30,34)(H2,31,32,33,35)
InChIKeyNVTUQQDMMKGNSC-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.73
Rot. Bonds6

About 1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea

1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea (PubChem CID 166182728) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
PubChem CID166182728
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
SMILESCC1(c2ccc(CNC(=O)NCc3ccc(-c4ccc5c(c4)CCCO5)cc3)cc2)NC(=O)NC1=O
InChIInChI=1S/C28H28N4O4/c1-28(25(33)31-27(35)32-28)23-11-6-19(7-12-23)17-30-26(34)29-16-18-4-8-20(9-5-18)21-10-13-24-22(15-21)3-2-14-36-24/h4-13,15H,2-3,14,16-17H2,1H3,(H2,29,30,34)(H2,31,32,33,35)
InChIKeyNVTUQQDMMKGNSC-UHFFFAOYSA-N
XLogP3.73
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119308776
N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 138042333
2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988314
1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166340548
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea
CID 86893050
3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea
CID 86886383
1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111089569
3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide
CID 119758146
(2S)-2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-(1H-imidazol-5-yl)propanamide;2,2,2-trifluoroacetic acid
CID 167758195
sodium 4-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4-oxobutanoate
CID 167799892
N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide
CID 167856004

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
The IUPAC name of 1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea (CID 166182728) is 1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
The canonical SMILES for 1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea is CC1(c2ccc(CNC(=O)NCc3ccc(-c4ccc5c(c4)CCCO5)cc3)cc2)NC(=O)NC1=O.
What is the InChIKey of 1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
The InChIKey is NVTUQQDMMKGNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-28(25(33)31-27(35)32-28)23-11-6-19(7-12-23)17-30-26(34)29-16-18-4-8-20(9-5-18)21-10-13-24-22(15-21)3-2-14-36-24/h4-13,15H,2-3,14,16-17H2,1H3,(H2,29,30,34)(H2,31,32,33,35).
What are the key properties of 1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea?
1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea has a molecular weight of 484.56 g/mol, XLogP of 3.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea is sourced from PubChem (CID 166182728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).