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

C27H28N2 — CID 162706504

IUPAC(1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
SMILESCc1ccccc1N1C(C)N2C=CC(c3ccccc3)(c3ccccc3)C2[C@@H]1C
InChIInChI=1S/C27H28N2/c1-20-12-10-11-17-25(20)29-21(2)26-27(18-19-28(26)22(29)3,23-13-6-4-7-14-23)24-15-8-5-9-16-24/h4-19,21-22,26H,1-3H3/t21-,22?,26?/m0/s1
InChIKeyUOFYAEVJIUZPCH-OKFDZGCWSA-N
MW380.54 g/mol
LogP5.73
Rot. Bonds3

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

(1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole (PubChem CID 162706504) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is (1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name(1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
PubChem CID162706504
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC Name(1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
SMILESCc1ccccc1N1C(C)N2C=CC(c3ccccc3)(c3ccccc3)C2[C@@H]1C
InChIInChI=1S/C27H28N2/c1-20-12-10-11-17-25(20)29-21(2)26-27(18-19-28(26)22(29)3,23-13-6-4-7-14-23)24-15-8-5-9-16-24/h4-19,21-22,26H,1-3H3/t21-,22?,26?/m0/s1
InChIKeyUOFYAEVJIUZPCH-OKFDZGCWSA-N
XLogP5.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706310
(1S)-1-methyl-2-(2-methylphenyl)-5,5-diphenyl-3-(trideuteriomethyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706703
(5S)-5-methyl-1-(2-methylphenyl)-3,4-diphenyl-2-(trideuteriomethyl)imidazolidine
CID 162706060
(1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706396
(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine
CID 162706558
(3S)-1,4,4-tricyclopentyl-3-methyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706557
(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706306
(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine
CID 27311881
(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454239
(1S)-3-tert-butyl-5-cyclohexyl-1-methyl-2-(2-methylphenyl)-5-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706326

Frequently Asked Questions

What is the IUPAC name of (1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The IUPAC name of (1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole (CID 162706504) is (1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for (1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for (1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole is Cc1ccccc1N1C(C)N2C=CC(c3ccccc3)(c3ccccc3)C2[C@@H]1C.
What is the InChIKey of (1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The InChIKey is UOFYAEVJIUZPCH-OKFDZGCWSA-N. The full InChI is InChI=1S/C27H28N2/c1-20-12-10-11-17-25(20)29-21(2)26-27(18-19-28(26)22(29)3,23-13-6-4-7-14-23)24-15-8-5-9-16-24/h4-19,21-22,26H,1-3H3/t21-,22?,26?/m0/s1.
What are the key properties of (1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
(1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole has a molecular weight of 380.54 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 162706504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).