(1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole

C25H30N2 — CID 162706596

IUPAC(1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
SMILES[2H]C1(C2CCCC2)C=CC2[C@H](C)N(c3ccccc3C)C(c3ccccc3)N21
InChIInChI=1S/C25H30N2/c1-18-10-6-9-15-22(18)26-19(2)23-16-17-24(20-11-7-8-12-20)27(23)25(26)21-13-4-3-5-14-21/h3-6,9-10,13-17,19-20,23-25H,7-8,11-12H2,1-2H3/t19-,23?,24?,25?/m0/s1/i24D
InChIKeyMXTDYBFVSXCQCE-QGHMFACISA-N
MW359.54 g/mol
LogP5.70
Rot. Bonds3

About (1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole

(1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole (PubChem CID 162706596) has the molecular formula C25H30N2 and a molecular weight of 359.54 g/mol. Its IUPAC name is (1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name(1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
PubChem CID162706596
Molecular FormulaC25H30N2
Molecular Weight359.54 g/mol
Exact Mass359.25
IUPAC Name(1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
SMILES[2H]C1(C2CCCC2)C=CC2[C@H](C)N(c3ccccc3C)C(c3ccccc3)N21
InChIInChI=1S/C25H30N2/c1-18-10-6-9-15-22(18)26-19(2)23-16-17-24(20-11-7-8-12-20)27(23)25(26)21-13-4-3-5-14-21/h3-6,9-10,13-17,19-20,23-25H,7-8,11-12H2,1-2H3/t19-,23?,24?,25?/m0/s1/i24D
InChIKeyMXTDYBFVSXCQCE-QGHMFACISA-N
XLogP5.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine
CID 162706315
(1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706310
(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine
CID 162706558
(1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706264
(3S)-3-methyl-2-(2-methylphenyl)-1-phenyl-3,3a-dihydro-1H-imidazo[5,1-b][1,3]benzoxazole
CID 166958977
(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine
CID 162706377
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(1S)-3-tert-butyl-5,5-dicyclohexyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706102
(4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine
CID 162706019
(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706481
(1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162705992
(5S)-5-methyl-1-(2-methylphenyl)-3,4-diphenyl-2-(trideuteriomethyl)imidazolidine
CID 162706060

Frequently Asked Questions

What is the IUPAC name of (1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The IUPAC name of (1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole (CID 162706596) is (1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for (1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for (1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole is [2H]C1(C2CCCC2)C=CC2[C@H](C)N(c3ccccc3C)C(c3ccccc3)N21.
What is the InChIKey of (1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The InChIKey is MXTDYBFVSXCQCE-QGHMFACISA-N. The full InChI is InChI=1S/C25H30N2/c1-18-10-6-9-15-22(18)26-19(2)23-16-17-24(20-11-7-8-12-20)27(23)25(26)21-13-4-3-5-14-21/h3-6,9-10,13-17,19-20,23-25H,7-8,11-12H2,1-2H3/t19-,23?,24?,25?/m0/s1/i24D.
What are the key properties of (1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
(1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole has a molecular weight of 359.54 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 162706596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).