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

C21H24N2 — CID 162706396

IUPAC(1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
SMILES[2H]C1N2C=CC(C)(c3ccccc3)C2[C@H](C)N1c1ccccc1C
InChIInChI=1S/C21H24N2/c1-16-9-7-8-12-19(16)23-15-22-14-13-21(3,20(22)17(23)2)18-10-5-4-6-11-18/h4-14,17,20H,15H2,1-3H3/t17-,20?,21?/m0/s1/i15D/t15?,17-,20?,21?
InChIKeyXOSRUZKCCCICNX-JGIXLUMKSA-N
MW305.44 g/mol
LogP4.32
Rot. Bonds2

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

(1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole (PubChem CID 162706396) has the molecular formula C21H24N2 and a molecular weight of 305.44 g/mol. Its IUPAC name is (1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name(1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
PubChem CID162706396
Molecular FormulaC21H24N2
Molecular Weight305.44 g/mol
Exact Mass305.20
IUPAC Name(1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
SMILES[2H]C1N2C=CC(C)(c3ccccc3)C2[C@H](C)N1c1ccccc1C
InChIInChI=1S/C21H24N2/c1-16-9-7-8-12-19(16)23-15-22-14-13-21(3,20(22)17(23)2)18-10-5-4-6-11-18/h4-14,17,20H,15H2,1-3H3/t17-,20?,21?/m0/s1/i15D/t15?,17-,20?,21?
InChIKeyXOSRUZKCCCICNX-JGIXLUMKSA-N
XLogP4.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine
CID 162706210
(4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine
CID 162706573
(2S)-1,2-dimethyl-3-(2-methylphenyl)imidazolidine
CID 121449628
(4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine
CID 162706019
(1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706504
(4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine
CID 162706297
(1S)-5,5-dicyclopentyl-3-deuterio-1-methyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706362
(1S)-7-cyclohexyl-1-methyl-2-(2-methylphenyl)-7-phenyl-3-(trideuteriomethyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706325
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
5-ethyl-2,5-dimethyl-1-(2-methylphenyl)piperazine
CID 64930880
2-(2-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane
CID 4152786
N-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 117022670

Frequently Asked Questions

What is the IUPAC name of (1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The IUPAC name of (1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole (CID 162706396) is (1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for (1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for (1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole is [2H]C1N2C=CC(C)(c3ccccc3)C2[C@H](C)N1c1ccccc1C.
What is the InChIKey of (1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The InChIKey is XOSRUZKCCCICNX-JGIXLUMKSA-N. The full InChI is InChI=1S/C21H24N2/c1-16-9-7-8-12-19(16)23-15-22-14-13-21(3,20(22)17(23)2)18-10-5-4-6-11-18/h4-14,17,20H,15H2,1-3H3/t17-,20?,21?/m0/s1/i15D/t15?,17-,20?,21?.
What are the key properties of (1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
(1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole has a molecular weight of 305.44 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 162706396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).