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

C30H38N2 — CID 162706310

IUPAC(1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
SMILESCc1ccccc1N1C(c2ccccc2)N2C=CC(C3CCCC3)(C3CCCC3)C2[C@@H]1C
InChIInChI=1S/C30H38N2/c1-22-12-6-11-19-27(22)32-23(2)28-30(25-15-7-8-16-25,26-17-9-10-18-26)20-21-31(28)29(32)24-13-4-3-5-14-24/h3-6,11-14,19-21,23,25-26,28-29H,7-10,15-18H2,1-2H3/t23-,28?,29?/m0/s1
InChIKeyZKKQIXZHJPKWSX-SAVAPUMLSA-N
MW426.65 g/mol
LogP7.47
Rot. Bonds4

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

(1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole (PubChem CID 162706310) has the molecular formula C30H38N2 and a molecular weight of 426.65 g/mol. Its IUPAC name is (1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name(1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
PubChem CID162706310
Molecular FormulaC30H38N2
Molecular Weight426.65 g/mol
Exact Mass426.30
IUPAC Name(1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
SMILESCc1ccccc1N1C(c2ccccc2)N2C=CC(C3CCCC3)(C3CCCC3)C2[C@@H]1C
InChIInChI=1S/C30H38N2/c1-22-12-6-11-19-27(22)32-23(2)28-30(25-15-7-8-16-25,26-17-9-10-18-26)20-21-31(28)29(32)24-13-4-3-5-14-24/h3-6,11-14,19-21,23,25-26,28-29H,7-10,15-18H2,1-2H3/t23-,28?,29?/m0/s1
InChIKeyZKKQIXZHJPKWSX-SAVAPUMLSA-N
XLogP7.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The IUPAC name of (1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole (CID 162706310) is (1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for (1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for (1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole is Cc1ccccc1N1C(c2ccccc2)N2C=CC(C3CCCC3)(C3CCCC3)C2[C@@H]1C.
What is the InChIKey of (1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The InChIKey is ZKKQIXZHJPKWSX-SAVAPUMLSA-N. The full InChI is InChI=1S/C30H38N2/c1-22-12-6-11-19-27(22)32-23(2)28-30(25-15-7-8-16-25,26-17-9-10-18-26)20-21-31(28)29(32)24-13-4-3-5-14-24/h3-6,11-14,19-21,23,25-26,28-29H,7-10,15-18H2,1-2H3/t23-,28?,29?/m0/s1.
What are the key properties of (1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
(1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole has a molecular weight of 426.65 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 162706310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).