(5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione

C18H24N4O3 — CID 94386620

IUPAC(5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@H]1NC(=O)N(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1=O
InChIInChI=1S/C18H24N4O3/c1-4-5-14-17(24)22(18(25)20-14)9-13(23)8-21-10-19-15-6-11(2)12(3)7-16(15)21/h6-7,10,13-14,23H,4-5,8-9H2,1-3H3,(H,20,25)/t13-,14+/m0/s1
InChIKeyXKUMMMFHGUDHNH-UONOGXRCSA-N
MW344.42 g/mol
LogP1.73
Rot. Bonds6

About (5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione

(5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione (PubChem CID 94386620) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione
PubChem CID94386620
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@H]1NC(=O)N(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1=O
InChIInChI=1S/C18H24N4O3/c1-4-5-14-17(24)22(18(25)20-14)9-13(23)8-21-10-19-15-6-11(2)12(3)7-16(15)21/h6-7,10,13-14,23H,4-5,8-9H2,1-3H3,(H,20,25)/t13-,14+/m0/s1
InChIKeyXKUMMMFHGUDHNH-UONOGXRCSA-N
XLogP1.73
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione (CID 94386620) is (5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione is CCC[C@H]1NC(=O)N(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)C1=O.
What is the InChIKey of (5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is XKUMMMFHGUDHNH-UONOGXRCSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-5-14-17(24)22(18(25)20-14)9-13(23)8-21-10-19-15-6-11(2)12(3)7-16(15)21/h6-7,10,13-14,23H,4-5,8-9H2,1-3H3,(H,20,25)/t13-,14+/m0/s1.
What are the key properties of (5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione?
(5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 94386620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).