(7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one

C14H18N2O — CID 46845936

IUPAC(7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
SMILESCC1(C)N(c2ccccc2)C(=O)[C@@H]2CCCN21
InChIInChI=1S/C14H18N2O/c1-14(2)15-10-6-9-12(15)13(17)16(14)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyRZYMTRJWNCTZHX-LBPRGKRZSA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds1

About (7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one

(7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one (PubChem CID 46845936) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name(7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
PubChem CID46845936
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
SMILESCC1(C)N(c2ccccc2)C(=O)[C@@H]2CCCN21
InChIInChI=1S/C14H18N2O/c1-14(2)15-10-6-9-12(15)13(17)16(14)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyRZYMTRJWNCTZHX-LBPRGKRZSA-N
XLogP2.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetyl-3-phenylimidazolidine-2,4-dione
CID 890978
2-(3,5-dimethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3325517
2-(4-methylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3596461
2-(3,4-dimethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3617500
2-(4-chlorophenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 4842743
3-[4-[4-(2-Methylphenyl)piperazino]butyl]-1,3-diazabicyclo[3.3.0]octane-2,4-dione
CID 4306767
2-[3-[4-(3-Aminophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10618325
2-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10496791
Hexahydro-2-phenyl-3-thioxo-1H-pyrrolo(1,2-c)imidazol-1-one
CID 100798
4-Imidazolidinone, 3-ethyl-1-phenyl-2-thioxo-
CID 169847
2-{4-[4-(4-fluorophenyl)-1-piperazinyl]butyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
CID 3297088
3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5309937

Frequently Asked Questions

What is the IUPAC name of (7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of (7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one (CID 46845936) is (7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for (7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for (7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one is CC1(C)N(c2ccccc2)C(=O)[C@@H]2CCCN21.
What is the InChIKey of (7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one?
The InChIKey is RZYMTRJWNCTZHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2)15-10-6-9-12(15)13(17)16(14)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one?
(7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-3,3-dimethyl-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 46845936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).