5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione

C22H19ClN4O3 — CID 154863979

IUPAC5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cccc(C(=O)N3CCn4c(cc5ccc(Cl)cc54)C3)c2)NC(=O)NC1=O
InChIInChI=1S/C22H19ClN4O3/c1-22(20(29)24-21(30)25-22)15-4-2-3-14(9-15)19(28)26-7-8-27-17(12-26)10-13-5-6-16(23)11-18(13)27/h2-6,9-11H,7-8,12H2,1H3,(H2,24,25,29,30)
InChIKeyZLVKMDBWQZXZQS-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.01
Rot. Bonds2

About 5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione

5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 154863979) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID154863979
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cccc(C(=O)N3CCn4c(cc5ccc(Cl)cc54)C3)c2)NC(=O)NC1=O
InChIInChI=1S/C22H19ClN4O3/c1-22(20(29)24-21(30)25-22)15-4-2-3-14(9-15)19(28)26-7-8-27-17(12-26)10-13-5-6-16(23)11-18(13)27/h2-6,9-11H,7-8,12H2,1H3,(H2,24,25,29,30)
InChIKeyZLVKMDBWQZXZQS-UHFFFAOYSA-N
XLogP3.01
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid
CID 120512322
6-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514764
5-[3-(8-bromo-6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 154850198
5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 166935683
5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 146129813
(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone
CID 164636885
4-(5-chloro-1,3-benzoxazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 154833714
(2S,5R)-5-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)oxolane-2-carboxylic acid
CID 154795864
7-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]heptanoic acid
CID 120524062
(5S)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 7131300
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide
CID 166226982
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884

Frequently Asked Questions

What is the IUPAC name of 5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione (CID 154863979) is 5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione is CC1(c2cccc(C(=O)N3CCn4c(cc5ccc(Cl)cc54)C3)c2)NC(=O)NC1=O.
What is the InChIKey of 5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZLVKMDBWQZXZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-22(20(29)24-21(30)25-22)15-4-2-3-14(9-15)19(28)26-7-8-27-17(12-26)10-13-5-6-16(23)11-18(13)27/h2-6,9-11H,7-8,12H2,1H3,(H2,24,25,29,30).
What are the key properties of 5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione?
5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 422.87 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 154863979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).