(5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione

C18H13ClF2N2O4 — CID 27073247

IUPAC(5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCO3)C1=O
InChIInChI=1S/C18H13ClF2N2O4/c1-18(10-2-3-12(20)13(21)6-10)16(24)23(17(25)22-18)7-9-4-11(19)15-14(5-9)26-8-27-15/h2-6H,7-8H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyHESGZYCXCZMEIL-GOSISDBHSA-N
MW394.76 g/mol
LogP3.31
Rot. Bonds3

About (5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione

(5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 27073247) has the molecular formula C18H13ClF2N2O4 and a molecular weight of 394.76 g/mol. Its IUPAC name is (5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID27073247
Molecular FormulaC18H13ClF2N2O4
Molecular Weight394.76 g/mol
Exact Mass394.05
IUPAC Name(5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCO3)C1=O
InChIInChI=1S/C18H13ClF2N2O4/c1-18(10-2-3-12(20)13(21)6-10)16(24)23(17(25)22-18)7-9-4-11(19)15-14(5-9)26-8-27-15/h2-6H,7-8H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyHESGZYCXCZMEIL-GOSISDBHSA-N
XLogP3.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520488
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 25437321
5-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17400223
3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 17471317
3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 55481018
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
5-(1,3-benzodioxol-5-yl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17450276
5-(3,4-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529191
(5S)-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41082147
(5S)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7595168

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione (CID 27073247) is (5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCO3)C1=O.
What is the InChIKey of (5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is HESGZYCXCZMEIL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H13ClF2N2O4/c1-18(10-2-3-12(20)13(21)6-10)16(24)23(17(25)22-18)7-9-4-11(19)15-14(5-9)26-8-27-15/h2-6H,7-8H2,1H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 394.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 27073247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).