2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile

C12H10ClN3O2 — CID 2691195

IUPAC2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC#N)C1=O
InChIInChI=1S/C12H10ClN3O2/c1-12(8-4-2-3-5-9(8)13)10(17)16(7-6-14)11(18)15-12/h2-5H,7H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyWBZMIWLNAULJJP-LBPRGKRZSA-N
MW263.68 g/mol
LogP1.63
Rot. Bonds2

About 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile

2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile (PubChem CID 2691195) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
PubChem CID2691195
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC#N)C1=O
InChIInChI=1S/C12H10ClN3O2/c1-12(8-4-2-3-5-9(8)13)10(17)16(7-6-14)11(18)15-12/h2-5H,7H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyWBZMIWLNAULJJP-LBPRGKRZSA-N
XLogP1.63
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2691204
5-(2-chlorophenyl)-3-[(2-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3689298
(5S)-5-(2-chlorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7180510
(5R)-5-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 6590877
5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3894846
(5R)-5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2479691
(5S)-5-(2-chlorophenyl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 2702291
(5R)-3-[2-(4-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2087631
4-[(4R)-1-(cyanomethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 41105372
(5R)-5-(2-chlorophenyl)-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 40745064
5-(2-chlorophenyl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4003616
N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702240

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The IUPAC name of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile (CID 2691195) is 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile is C[C@@]1(c2ccccc2Cl)NC(=O)N(CC#N)C1=O.
What is the InChIKey of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
The InChIKey is WBZMIWLNAULJJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-12(8-4-2-3-5-9(8)13)10(17)16(7-6-14)11(18)15-12/h2-5H,7H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile?
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile has a molecular weight of 263.68 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile is sourced from PubChem (CID 2691195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).