1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea

C26H33N5O3 — CID 67199720

IUPAC1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea
SMILESCC(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(NC(=O)NC4CCC4)c3)C(C)(C)C2=O)cc1
InChIInChI=1S/C26H33N5O3/c1-25(2,3)18-9-11-20(12-10-18)31-22(32)26(4,5)30(24(31)34)16-17-13-14-27-21(15-17)29-23(33)28-19-7-6-8-19/h9-15,19H,6-8,16H2,1-5H3,(H2,27,28,29,33)
InChIKeyJGWFJBMVTSGHPK-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.80
Rot. Bonds5

About 1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea

1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea (PubChem CID 67199720) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea.

Molecular Properties

Compound Name1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea
PubChem CID67199720
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea
SMILESCC(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(NC(=O)NC4CCC4)c3)C(C)(C)C2=O)cc1
InChIInChI=1S/C26H33N5O3/c1-25(2,3)18-9-11-20(12-10-18)31-22(32)26(4,5)30(24(31)34)16-17-13-14-27-21(15-17)29-23(33)28-19-7-6-8-19/h9-15,19H,6-8,16H2,1-5H3,(H2,27,28,29,33)
InChIKeyJGWFJBMVTSGHPK-UHFFFAOYSA-N
XLogP4.80
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromo-4-pyridinyl)methyl]-3-(4-tert-butylphenyl)-5,5-dimethylimidazolidine-2,4-dione
CID 176737923
N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 68914184
4-chloro-N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]benzamide
CID 68766888
N-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-6-yl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-4-methoxybenzamide
CID 69458524
1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea
CID 142344622
N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]-4-iminohexanamide
CID 174503768
3-[[4-[[5,5-dimethyl-2,4-dioxo-3-(1,3,3-trimethyl-2H-indol-6-yl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]benzoic acid
CID 69458883
1-[4-[4,4-dimethyl-3-[[2-(3-oxabicyclo[3.1.0]hexan-6-ylamino)-4-pyridinyl]methyl]-2,5-dioxoimidazolidin-1-yl]phenyl]-2,2-dimethylcyclopropane-1-carbonitrile
CID 176737917
3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5,5-dimethyl-1-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 23110272
2-[benzyl(methyl)amino]-N-[4-[[3-[4-(1,1-difluoroprop-2-enylsulfanyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 162579895
2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide
CID 11541639
3-(3-ethyl-1,3-dimethyl-2H-indol-6-yl)-5,5-dimethyl-1-[[2-(propan-2-ylamino)-4-pyridinyl]methyl]imidazolidine-2,4-dione
CID 176737922

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea?
The IUPAC name of 1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea (CID 67199720) is 1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea.
What is the SMILES notation for 1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea?
The canonical SMILES for 1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea is CC(C)(C)c1ccc(N2C(=O)N(Cc3ccnc(NC(=O)NC4CCC4)c3)C(C)(C)C2=O)cc1.
What is the InChIKey of 1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea?
The InChIKey is JGWFJBMVTSGHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-25(2,3)18-9-11-20(12-10-18)31-22(32)26(4,5)30(24(31)34)16-17-13-14-27-21(15-17)29-23(33)28-19-7-6-8-19/h9-15,19H,6-8,16H2,1-5H3,(H2,27,28,29,33).
What are the key properties of 1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea?
1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea has a molecular weight of 463.58 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea is sourced from PubChem (CID 67199720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).