(5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione

C18H24N2O2 — CID 146131125

IUPAC(5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCC[C@H](C)[C@@H]1NC(=O)N(C(c2ccccc2C)C2CC2)C1=O
InChIInChI=1S/C18H24N2O2/c1-4-11(2)15-17(21)20(18(22)19-15)16(13-9-10-13)14-8-6-5-7-12(14)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3,(H,19,22)/t11-,15-,16?/m0/s1
InChIKeyKYLQEOVRBVUHBP-QUJPKXGGSA-N
MW300.40 g/mol
LogP3.41
Rot. Bonds5

About (5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione

(5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 146131125) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID146131125
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCC[C@H](C)[C@@H]1NC(=O)N(C(c2ccccc2C)C2CC2)C1=O
InChIInChI=1S/C18H24N2O2/c1-4-11(2)15-17(21)20(18(22)19-15)16(13-9-10-13)14-8-6-5-7-12(14)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3,(H,19,22)/t11-,15-,16?/m0/s1
InChIKeyKYLQEOVRBVUHBP-QUJPKXGGSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione (CID 146131125) is (5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione is CC[C@H](C)[C@@H]1NC(=O)N(C(c2ccccc2C)C2CC2)C1=O.
What is the InChIKey of (5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is KYLQEOVRBVUHBP-QUJPKXGGSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-11(2)15-17(21)20(18(22)19-15)16(13-9-10-13)14-8-6-5-7-12(14)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3,(H,19,22)/t11-,15-,16?/m0/s1.
What are the key properties of (5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione?
(5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 300.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S)-butan-2-yl]-3-[cyclopropyl-(2-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146131125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).