(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane

C14H15ClFN3O2 — CID 158503902

IUPAC(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane
SMILESC.CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cc(F)cc23)C1=O
InChIInChI=1S/C13H11ClFN3O2.CH4/c1-18-12(19)10(17-13(18)20)2-6-5-16-11-8(6)3-7(15)4-9(11)14;/h3-5,10,16H,2H2,1H3,(H,17,20);1H4/t10-;/m1./s1
InChIKeyHKFUOAMKLKFFPW-HNCPQSOCSA-N
MW311.74 g/mol
LogP2.69
Rot. Bonds2

About (5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane

(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane (PubChem CID 158503902) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is (5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane.

Molecular Properties

Compound Name(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane
PubChem CID158503902
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane
SMILESC.CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cc(F)cc23)C1=O
InChIInChI=1S/C13H11ClFN3O2.CH4/c1-18-12(19)10(17-13(18)20)2-6-5-16-11-8(6)3-7(15)4-9(11)14;/h3-5,10,16H,2H2,1H3,(H,17,20);1H4/t10-;/m1./s1
InChIKeyHKFUOAMKLKFFPW-HNCPQSOCSA-N
XLogP2.69
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 57377386
5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione
CID 86295625
(5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 71110493
(5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 162890732
(5R)-5-[(7-chloro-4-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(4-phenylbutyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-prop-2-enylimidazolidine-2,4-dione
CID 160524204
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403142
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane
CID 158095312
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane
CID 157075713
7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole
CID 106985524
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403159
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione
CID 161010316
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methylimidazolidine-2,4-dione
CID 10469232

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane?
The IUPAC name of (5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane (CID 158503902) is (5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane.
What is the SMILES notation for (5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane?
The canonical SMILES for (5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane is C.CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cc(F)cc23)C1=O.
What is the InChIKey of (5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane?
The InChIKey is HKFUOAMKLKFFPW-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H11ClFN3O2.CH4/c1-18-12(19)10(17-13(18)20)2-6-5-16-11-8(6)3-7(15)4-9(11)14;/h3-5,10,16H,2H2,1H3,(H,17,20);1H4/t10-;/m1./s1.
What are the key properties of (5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane?
(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane has a molecular weight of 311.74 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane is sourced from PubChem (CID 158503902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).