(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane

C20H18ClF2N3O2 — CID 158095312

IUPAC(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane
SMILESC.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C19H14ClF2N3O2.CH4/c20-16-14(22)5-4-13-11(8-23-17(13)16)7-15-18(26)25(19(27)24-15)9-10-2-1-3-12(21)6-10;/h1-6,8,15,23H,7,9H2,(H,24,27);1H4/t15-;/m1./s1
InChIKeyFOPBSKAOSGOZER-XFULWGLBSA-N
MW405.83 g/mol
LogP4.40
Rot. Bonds4

About (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane

(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane (PubChem CID 158095312) has the molecular formula C20H18ClF2N3O2 and a molecular weight of 405.83 g/mol. Its IUPAC name is (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane.

Molecular Properties

Compound Name(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane
PubChem CID158095312
Molecular FormulaC20H18ClF2N3O2
Molecular Weight405.83 g/mol
Exact Mass405.11
IUPAC Name(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane
SMILESC.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C19H14ClF2N3O2.CH4/c20-16-14(22)5-4-13-11(8-23-17(13)16)7-15-18(26)25(19(27)24-15)9-10-2-1-3-12(21)6-10;/h1-6,8,15,23H,7,9H2,(H,24,27);1H4/t15-;/m1./s1
InChIKeyFOPBSKAOSGOZER-XFULWGLBSA-N
XLogP4.40
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 54.40
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

(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one
CID 134420201
(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-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane
CID 157075713
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403142
(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
CID 92535449
5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 57377386
(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 51532327
(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
(5S)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 11744729
5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 112774880
(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane
CID 158503902
(5R)-5-(1H-indol-3-ylmethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2114779

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane?
The IUPAC name of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane (CID 158095312) is (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane.
What is the SMILES notation for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane?
The canonical SMILES for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane is C.O=C1N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C(=O)N1Cc1cccc(F)c1.
What is the InChIKey of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane?
The InChIKey is FOPBSKAOSGOZER-XFULWGLBSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2.CH4/c20-16-14(22)5-4-13-11(8-23-17(13)16)7-15-18(26)25(19(27)24-15)9-10-2-1-3-12(21)6-10;/h1-6,8,15,23H,7,9H2,(H,24,27);1H4/t15-;/m1./s1.
What are the key properties of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane?
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane has a molecular weight of 405.83 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane is sourced from PubChem (CID 158095312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).