(3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione

C21H24N4O2 — CID 7336286

IUPAC(3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCC(C)N1C(=O)N[C@@]2(c3ccccc3)N(C)C(=O)N(C)[C@]12c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-15(2)25-18(26)22-20(16-11-7-5-8-12-16)21(25,17-13-9-6-10-14-17)24(4)19(27)23(20)3/h5-15H,1-4H3,(H,22,26)/t20-,21+/m0/s1
InChIKeyULTCQHDEBVZNAD-LEWJYISDSA-N
MW364.45 g/mol
LogP3.12
Rot. Bonds3

About (3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione

(3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 7336286) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name(3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID7336286
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCC(C)N1C(=O)N[C@@]2(c3ccccc3)N(C)C(=O)N(C)[C@]12c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-15(2)25-18(26)22-20(16-11-7-5-8-12-16)21(25,17-13-9-6-10-14-17)24(4)19(27)23(20)3/h5-15H,1-4H3,(H,22,26)/t20-,21+/m0/s1
InChIKeyULTCQHDEBVZNAD-LEWJYISDSA-N
XLogP3.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of (3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 7336286) is (3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for (3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for (3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione is CC(C)N1C(=O)N[C@@]2(c3ccccc3)N(C)C(=O)N(C)[C@]12c1ccccc1.
What is the InChIKey of (3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is ULTCQHDEBVZNAD-LEWJYISDSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(2)25-18(26)22-20(16-11-7-5-8-12-16)21(25,17-13-9-6-10-14-17)24(4)19(27)23(20)3/h5-15H,1-4H3,(H,22,26)/t20-,21+/m0/s1.
What are the key properties of (3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione?
(3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 364.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-4,6-dimethyl-3a,6a-diphenyl-3-propan-2-yl-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 7336286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).