5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one

C14H13Cl2N3O — CID 67978298

IUPAC5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one
SMILESC=C1NC(Cc2c[nH]c3c(Cl)c(Cl)ccc23)C(=O)N1C
InChIInChI=1S/C14H13Cl2N3O/c1-7-18-11(14(20)19(7)2)5-8-6-17-13-9(8)3-4-10(15)12(13)16/h3-4,6,11,17-18H,1,5H2,2H3
InChIKeySOZRGJVIXDAQAT-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.92
Rot. Bonds2

About 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one

5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one (PubChem CID 67978298) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one
PubChem CID67978298
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one
SMILESC=C1NC(Cc2c[nH]c3c(Cl)c(Cl)ccc23)C(=O)N1C
InChIInChI=1S/C14H13Cl2N3O/c1-7-18-11(14(20)19(7)2)5-8-6-17-13-9(8)3-4-10(15)12(13)16/h3-4,6,11,17-18H,1,5H2,2H3
InChIKeySOZRGJVIXDAQAT-UHFFFAOYSA-N
XLogP2.92
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-[(7-Chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 11288934
Necrostatin-1s
CID 643953
5-(1H-Indol-3-ylmethyl)-3-methyl-2,4-imidazolidinedione
CID 194580
Bauerine C
CID 189883
(5S)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde
CID 168281441
Cl-Necrostatin-1
CID 5497099
Necrostatin 2 S enantiomer
CID 44404825
3-butyl-5-[(7-chloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 44404842
(R)-5-((7-chloro-6-fluoro-1H-indol-3-yl)methyl)-3-methylimidazolidine-2,4-dione
CID 121393627
(R)-3,4-Dichloro-N-[1-dipentylcarbamoyl-2-(1H-indol-3-yl)-ethyl]-benzamide
CID 15104599
(S)-3,4-Dichloro-N-[1-dipentylcarbamoyl-2-(1H-indol-3-yl)-ethyl]-benzamide
CID 15104600
(5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-ethylimidazolidine-2,4-dione
CID 44404841

Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one?
The IUPAC name of 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one (CID 67978298) is 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one?
The canonical SMILES for 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one is C=C1NC(Cc2c[nH]c3c(Cl)c(Cl)ccc23)C(=O)N1C.
What is the InChIKey of 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one?
The InChIKey is SOZRGJVIXDAQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-7-18-11(14(20)19(7)2)5-8-6-17-13-9(8)3-4-10(15)12(13)16/h3-4,6,11,17-18H,1,5H2,2H3.
What are the key properties of 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one?
5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one has a molecular weight of 310.18 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methyl-2-methylideneimidazolidin-4-one is sourced from PubChem (CID 67978298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).