1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea

C17H14ClFN4O2S — CID 8766602

IUPAC1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=S)Nc2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C17H14ClFN4O2S/c1-17(10-5-3-2-4-6-10)14(24)23(16(25)21-17)22-15(26)20-11-7-8-13(19)12(18)9-11/h2-9H,1H3,(H,21,25)(H2,20,22,26)/t17-/m0/s1
InChIKeyRMYWTAOFALEAAJ-KRWDZBQOSA-N
MW392.84 g/mol
LogP3.15
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea

1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea (PubChem CID 8766602) has the molecular formula C17H14ClFN4O2S and a molecular weight of 392.84 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea
PubChem CID8766602
Molecular FormulaC17H14ClFN4O2S
Molecular Weight392.84 g/mol
Exact Mass392.05
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=S)Nc2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C17H14ClFN4O2S/c1-17(10-5-3-2-4-6-10)14(24)23(16(25)21-17)22-15(26)20-11-7-8-13(19)12(18)9-11/h2-9H,1H3,(H,21,25)(H2,20,22,26)/t17-/m0/s1
InChIKeyRMYWTAOFALEAAJ-KRWDZBQOSA-N
XLogP3.15
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8683821
1-(2-fluorophenyl)-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8789053
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 4214457
4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 31121107
4-chloro-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 31121106
N-(3-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2710976
N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 55327744
N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30730046
1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41156656
5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
CID 41119642
1-(3-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]thiourea
CID 8749644
3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 52990929

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea (CID 8766602) is 1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea is C[C@@]1(c2ccccc2)NC(=O)N(NC(=S)Nc2ccc(F)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea?
The InChIKey is RMYWTAOFALEAAJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14ClFN4O2S/c1-17(10-5-3-2-4-6-10)14(24)23(16(25)21-17)22-15(26)20-11-7-8-13(19)12(18)9-11/h2-9H,1H3,(H,21,25)(H2,20,22,26)/t17-/m0/s1.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea?
1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea has a molecular weight of 392.84 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiourea is sourced from PubChem (CID 8766602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).