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

C19H19ClN4O2 — CID 157075713

IUPAC(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane
SMILESC.O=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1ccncc1
InChIInChI=1S/C18H15ClN4O2.CH4/c19-14-3-1-2-13-12(9-21-16(13)14)8-15-17(24)23(18(25)22-15)10-11-4-6-20-7-5-11;/h1-7,9,15,21H,8,10H2,(H,22,25);1H4/t15-;/m1./s1
InChIKeyACYKHDKCJRILHG-XFULWGLBSA-N
MW370.84 g/mol
LogP3.52
Rot. Bonds4

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

(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane (PubChem CID 157075713) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane.

Molecular Properties

Compound Name(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane
PubChem CID157075713
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane
SMILESC.O=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1ccncc1
InChIInChI=1S/C18H15ClN4O2.CH4/c19-14-3-1-2-13-12(9-21-16(13)14)8-15-17(24)23(18(25)22-15)10-11-4-6-20-7-5-11;/h1-7,9,15,21H,8,10H2,(H,22,25);1H4/t15-;/m1./s1
InChIKeyACYKHDKCJRILHG-XFULWGLBSA-N
XLogP3.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403142
(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-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione
CID 86295625
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione;methane
CID 158095312
(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
phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate
CID 90448474
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403159
(5R)-5-(1H-indol-3-ylmethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2114779
4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 24606105
(5S)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 11744729
5-[(7-chloro-1H-indol-3-yl)methyl]-3-[4-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]butyl]imidazolidine-2,4-dione
CID 90448438
4-[4-[3-[4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidin-1-yl]propyl]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 86268839

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane?
The IUPAC name of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane (CID 157075713) is (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane.
What is the SMILES notation for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane?
The canonical SMILES for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane is C.O=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1ccncc1.
What is the InChIKey of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane?
The InChIKey is ACYKHDKCJRILHG-XFULWGLBSA-N. The full InChI is InChI=1S/C18H15ClN4O2.CH4/c19-14-3-1-2-13-12(9-21-16(13)14)8-15-17(24)23(18(25)22-15)10-11-4-6-20-7-5-11;/h1-7,9,15,21H,8,10H2,(H,22,25);1H4/t15-;/m1./s1.
What are the key properties of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane?
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane has a molecular weight of 370.84 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane is sourced from PubChem (CID 157075713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).