3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione

C18H20ClN3O3 — CID 35583922

IUPAC3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2
InChIInChI=1S/C18H20ClN3O3/c19-14-6-3-5-13-12-4-1-2-7-15(12)21(17(13)14)9-11(23)10-22-16(24)8-20-18(22)25/h3,5-6,11,23H,1-2,4,7-10H2,(H,20,25)/t11-/m0/s1
InChIKeyUASASOHSIIUGJY-NSHDSACASA-N
MW361.83 g/mol
LogP2.09
Rot. Bonds4

About 3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione

3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione (PubChem CID 35583922) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione
PubChem CID35583922
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2
InChIInChI=1S/C18H20ClN3O3/c19-14-6-3-5-13-12-4-1-2-7-15(12)21(17(13)14)9-11(23)10-22-16(24)8-20-18(22)25/h3,5-6,11,23H,1-2,4,7-10H2,(H,20,25)/t11-/m0/s1
InChIKeyUASASOHSIIUGJY-NSHDSACASA-N
XLogP2.09
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione (CID 35583922) is 3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2.
What is the InChIKey of 3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione?
The InChIKey is UASASOHSIIUGJY-NSHDSACASA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-14-6-3-5-13-12-4-1-2-7-15(12)21(17(13)14)9-11(23)10-22-16(24)8-20-18(22)25/h3,5-6,11,23H,1-2,4,7-10H2,(H,20,25)/t11-/m0/s1.
What are the key properties of 3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione?
3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione has a molecular weight of 361.83 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-2-hydroxypropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 35583922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).