(5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione

C10H14N4O2 — CID 7068409

IUPAC(5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1NC(=O)N(CCCn2ccnc2)C1=O
InChIInChI=1S/C10H14N4O2/c1-8-9(15)14(10(16)12-8)5-2-4-13-6-3-11-7-13/h3,6-8H,2,4-5H2,1H3,(H,12,16)/t8-/m0/s1
InChIKeyFUFWOFSLTRNGNA-QMMMGPOBSA-N
MW222.25 g/mol
LogP0.21
Rot. Bonds4

About (5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione

(5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione (PubChem CID 7068409) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione
PubChem CID7068409
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1NC(=O)N(CCCn2ccnc2)C1=O
InChIInChI=1S/C10H14N4O2/c1-8-9(15)14(10(16)12-8)5-2-4-13-6-3-11-7-13/h3,6-8H,2,4-5H2,1H3,(H,12,16)/t8-/m0/s1
InChIKeyFUFWOFSLTRNGNA-QMMMGPOBSA-N
XLogP0.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Imidazol-1-ylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 2726661
3-(2-Imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 47164586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
3-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2-thioxo-4-imidazolidinone
CID 902193
N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
CID 3122124
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
CID 9614329
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
N-[2-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-imidazol-4-yl]-4-[(2-guanidinoacetyl)amino]-1-methyl-imidazole-2-carboxamide
CID 149712
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
N-butyl-2-imidazol-1-yl-acetamide
CID 44139807

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione (CID 7068409) is (5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione is C[C@@H]1NC(=O)N(CCCn2ccnc2)C1=O.
What is the InChIKey of (5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is FUFWOFSLTRNGNA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-8-9(15)14(10(16)12-8)5-2-4-13-6-3-11-7-13/h3,6-8H,2,4-5H2,1H3,(H,12,16)/t8-/m0/s1.
What are the key properties of (5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 222.25 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3-imidazol-1-ylpropyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7068409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).