(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one

C19H16ClF2N3O — CID 134420201

IUPAC(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one
SMILESO=C1[C@@H](Cc2c[nH]c3c(Cl)c(F)ccc23)NCN1Cc1cccc(F)c1
InChIInChI=1S/C19H16ClF2N3O/c20-17-15(22)5-4-14-12(8-23-18(14)17)7-16-19(26)25(10-24-16)9-11-2-1-3-13(21)6-11/h1-6,8,16,23-24H,7,9-10H2/t16-/m1/s1
InChIKeyYKJBFFJVZLEKDG-MRXNPFEDSA-N
MW375.81 g/mol
LogP3.60
Rot. Bonds4

About (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one

(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one (PubChem CID 134420201) has the molecular formula C19H16ClF2N3O and a molecular weight of 375.81 g/mol. Its IUPAC name is (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one
PubChem CID134420201
Molecular FormulaC19H16ClF2N3O
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC Name(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one
SMILESO=C1[C@@H](Cc2c[nH]c3c(Cl)c(F)ccc23)NCN1Cc1cccc(F)c1
InChIInChI=1S/C19H16ClF2N3O/c20-17-15(22)5-4-14-12(8-23-18(14)17)7-16-19(26)25(10-24-16)9-11-2-1-3-13(21)6-11/h1-6,8,16,23-24H,7,9-10H2/t16-/m1/s1
InChIKeyYKJBFFJVZLEKDG-MRXNPFEDSA-N
XLogP3.60
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one with MolForge

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Related Compounds

(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-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-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403142
5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 57377386
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane
CID 157075713
1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087714
(3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
CID 70203151
(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane
CID 158503902
(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride
CID 70203042
7-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl]-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 167996799

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one?
The IUPAC name of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one (CID 134420201) is (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one.
What is the SMILES notation for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one?
The canonical SMILES for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one is O=C1[C@@H](Cc2c[nH]c3c(Cl)c(F)ccc23)NCN1Cc1cccc(F)c1.
What is the InChIKey of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one?
The InChIKey is YKJBFFJVZLEKDG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16ClF2N3O/c20-17-15(22)5-4-14-12(8-23-18(14)17)7-16-19(26)25(10-24-16)9-11-2-1-3-13(21)6-11/h1-6,8,16,23-24H,7,9-10H2/t16-/m1/s1.
What are the key properties of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one?
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidin-4-one has a molecular weight of 375.81 g/mol, XLogP of 3.60, 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]imidazolidin-4-one is sourced from PubChem (CID 134420201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).