(3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

C20H27N5O3 — CID 93240336

IUPAC(3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@H]3[C@@H]2N(C)C(=O)N3C)cc1C
InChIInChI=1S/C20H27N5O3/c1-12-7-8-14(10-13(12)2)15-6-5-9-24(15)16(26)11-25-18-17(21-19(25)27)22(3)20(28)23(18)4/h7-8,10,15,17-18H,5-6,9,11H2,1-4H3,(H,21,27)/t15-,17-,18+/m0/s1
InChIKeyQGJJVPKGSIHSRT-RYQLBKOJSA-N
MW385.47 g/mol
LogP1.64
Rot. Bonds3

About (3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

(3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 93240336) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is (3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name(3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID93240336
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name(3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@H]3[C@@H]2N(C)C(=O)N3C)cc1C
InChIInChI=1S/C20H27N5O3/c1-12-7-8-14(10-13(12)2)15-6-5-9-24(15)16(26)11-25-18-17(21-19(25)27)22(3)20(28)23(18)4/h7-8,10,15,17-18H,5-6,9,11H2,1-4H3,(H,21,27)/t15-,17-,18+/m0/s1
InChIKeyQGJJVPKGSIHSRT-RYQLBKOJSA-N
XLogP1.64
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124509659
methyl N-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 95274537
5-[2-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136903628
5-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136903627
N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide
CID 92558611
(4R)-4-[(2S)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-methylpiperidin-2-one
CID 95585392
2-[(3aR,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]acetic acid
CID 832255
1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94824254
1-[4-[2-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92633620
1-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 86847286
N-benzyl-1-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635526
1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 92633130

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of (3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 93240336) is (3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for (3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for (3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is Cc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@H]3[C@@H]2N(C)C(=O)N3C)cc1C.
What is the InChIKey of (3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is QGJJVPKGSIHSRT-RYQLBKOJSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-12-7-8-14(10-13(12)2)15-6-5-9-24(15)16(26)11-25-18-17(21-19(25)27)22(3)20(28)23(18)4/h7-8,10,15,17-18H,5-6,9,11H2,1-4H3,(H,21,27)/t15-,17-,18+/m0/s1.
What are the key properties of (3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
(3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 385.47 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 93240336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).