1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea

C17H14FN5O4S — CID 8789053

IUPAC1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea
SMILESC[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(NC(=S)Nc2ccccc2F)C1=O
InChIInChI=1S/C17H14FN5O4S/c1-17(10-6-8-11(9-7-10)23(26)27)14(24)22(16(25)20-17)21-15(28)19-13-5-3-2-4-12(13)18/h2-9H,1H3,(H,20,25)(H2,19,21,28)/t17-/m1/s1
InChIKeyXVYWGAIHEQJAOL-QGZVFWFLSA-N
MW403.40 g/mol
LogP2.40
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea

1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea (PubChem CID 8789053) has the molecular formula C17H14FN5O4S and a molecular weight of 403.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea
PubChem CID8789053
Molecular FormulaC17H14FN5O4S
Molecular Weight403.40 g/mol
Exact Mass403.08
IUPAC Name1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea
SMILESC[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(NC(=S)Nc2ccccc2F)C1=O
InChIInChI=1S/C17H14FN5O4S/c1-17(10-6-8-11(9-7-10)23(26)27)14(24)22(16(25)20-17)21-15(28)19-13-5-3-2-4-12(13)18/h2-9H,1H3,(H,20,25)(H2,19,21,28)/t17-/m1/s1
InChIKeyXVYWGAIHEQJAOL-QGZVFWFLSA-N
XLogP2.40
TPSA116.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
CID 8789062
1-butyl-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8789019
1-[(1S,2S)-2-methylcyclohexyl]-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8789071
1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea
CID 8766602
N-(2,6-difluorophenyl)-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180337
1-(2-fluorophenyl)-3-[2-(4-nitroanilino)ethyl]thiourea
CID 8600440
1-(4-ethylphenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea
CID 8679353
N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180228
(E)-N-[(2-fluorophenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187202
(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 41080939
N-(2-fluorophenyl)-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40841028
(5S)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180183

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea (CID 8789053) is 1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea is C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(NC(=S)Nc2ccccc2F)C1=O.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea?
The InChIKey is XVYWGAIHEQJAOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14FN5O4S/c1-17(10-6-8-11(9-7-10)23(26)27)14(24)22(16(25)20-17)21-15(28)19-13-5-3-2-4-12(13)18/h2-9H,1H3,(H,20,25)(H2,19,21,28)/t17-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea?
1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea has a molecular weight of 403.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea is sourced from PubChem (CID 8789053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).