5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione

C22H21F3N6O2 — CID 55860417

IUPAC5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCCCCC1(c2ccccc2)NC(=O)N(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C22H21F3N6O2/c1-2-3-13-21(15-7-5-4-6-8-15)19(32)30(20(33)26-21)14-18-27-28-29-31(18)17-11-9-16(10-12-17)22(23,24)25/h4-12H,2-3,13-14H2,1H3,(H,26,33)
InChIKeyXNQDGMDNEMCMOZ-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.82
Rot. Bonds7

About 5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione

5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 55860417) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is 5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione
PubChem CID55860417
Molecular FormulaC22H21F3N6O2
Molecular Weight458.44 g/mol
Exact Mass458.17
IUPAC Name5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCCCCC1(c2ccccc2)NC(=O)N(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C22H21F3N6O2/c1-2-3-13-21(15-7-5-4-6-8-15)19(32)30(20(33)26-21)14-18-27-28-29-31(18)17-11-9-16(10-12-17)22(23,24)25/h4-12H,2-3,13-14H2,1H3,(H,26,33)
InChIKeyXNQDGMDNEMCMOZ-UHFFFAOYSA-N
XLogP3.82
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-{3-cyclopentyl-2-[3-fluoro-4-(5-methyl-tetrazol-1-yl)-phenyl]-acryloyl}-3-methyl-urea
CID 10133857
2-Acetylamino-3-(4-fluoro-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 649890
1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 3230219
2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3231809
N-{[1-(3,4-Dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-3,5-bis(trifluoromethyl)benzamide
CID 16030215
N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 16030217
N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide
CID 16030221
N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16799168
3-[2-(2,4-Difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 155547634
1-(3,4-Dimethylphenyl)-N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-YL]methyl}-5-oxopyrrolidine-3-carboxamide
CID 16030225
2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3232501
N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)-2,2-diphenylacetamide
CID 16799301

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione (CID 55860417) is 5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione is CCCCC1(c2ccccc2)NC(=O)N(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of 5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is XNQDGMDNEMCMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-2-3-13-21(15-7-5-4-6-8-15)19(32)30(20(33)26-21)14-18-27-28-29-31(18)17-11-9-16(10-12-17)22(23,24)25/h4-12H,2-3,13-14H2,1H3,(H,26,33).
What are the key properties of 5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione?
5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 458.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55860417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).