3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione

C16H17N5O4 — CID 167917711

IUPAC3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NCC(CN2CC(=O)N(CCn3cnc4ccccc43)C2=O)O1
InChIInChI=1S/C16H17N5O4/c22-14-9-20(8-11-7-17-15(23)25-11)16(24)21(14)6-5-19-10-18-12-3-1-2-4-13(12)19/h1-4,10-11H,5-9H2,(H,17,23)
InChIKeyXVQKDFUVPPMOOG-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.41
Rot. Bonds5

About 3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione

3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 167917711) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID167917711
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NCC(CN2CC(=O)N(CCn3cnc4ccccc43)C2=O)O1
InChIInChI=1S/C16H17N5O4/c22-14-9-20(8-11-7-17-15(23)25-11)16(24)21(14)6-5-19-10-18-12-3-1-2-4-13(12)19/h1-4,10-11H,5-9H2,(H,17,23)
InChIKeyXVQKDFUVPPMOOG-UHFFFAOYSA-N
XLogP0.41
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 115773533
2-[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638420
(2-oxo-1,3-oxazolidin-5-yl)methyl 2-(benzimidazol-1-yl)-2-phenylacetate
CID 167986685
[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676551
[1-[2-(benzimidazol-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682038
7-[2-(benzimidazol-1-yl)ethyl]-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-1,4-dione
CID 18348638
1-[2-(3-pyridin-2-ylazetidin-1-yl)ethyl]benzimidazole
CID 118763615
N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine
CID 43608514
(3S)-N-[3-(benzimidazol-1-yl)propyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 94491723
1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole
CID 15397533
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione (CID 167917711) is 3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione is O=C1NCC(CN2CC(=O)N(CCn3cnc4ccccc43)C2=O)O1.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is XVQKDFUVPPMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c22-14-9-20(8-11-7-17-15(23)25-11)16(24)21(14)6-5-19-10-18-12-3-1-2-4-13(12)19/h1-4,10-11H,5-9H2,(H,17,23).
What are the key properties of 3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione?
3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 343.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzimidazol-1-yl)ethyl]-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 167917711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).