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

C30H44N2 — CID 162706264

IUPAC(1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
SMILESCc1ccccc1N1C(C2CCCC2)N2C(C=CC2(C2CCCCC2)C2CCCC2)[C@@H]1C
InChIInChI=1S/C30H44N2/c1-22-12-6-11-19-27(22)31-23(2)28-20-21-30(26-17-9-10-18-26,25-15-4-3-5-16-25)32(28)29(31)24-13-7-8-14-24/h6,11-12,19-21,23-26,28-29H,3-5,7-10,13-18H2,1-2H3/t23-,28?,29?,30?/m0/s1
InChIKeyOHHZHNJMIGLCPO-WJRIUKBOSA-N
MW432.70 g/mol
LogP7.47
Rot. Bonds4

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

(1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole (PubChem CID 162706264) has the molecular formula C30H44N2 and a molecular weight of 432.70 g/mol. Its IUPAC name is (1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name(1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
PubChem CID162706264
Molecular FormulaC30H44N2
Molecular Weight432.70 g/mol
Exact Mass432.35
IUPAC Name(1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
SMILESCc1ccccc1N1C(C2CCCC2)N2C(C=CC2(C2CCCCC2)C2CCCC2)[C@@H]1C
InChIInChI=1S/C30H44N2/c1-22-12-6-11-19-27(22)31-23(2)28-20-21-30(26-17-9-10-18-26,25-15-4-3-5-16-25)32(28)29(31)24-13-7-8-14-24/h6,11-12,19-21,23-26,28-29H,3-5,7-10,13-18H2,1-2H3/t23-,28?,29?,30?/m0/s1
InChIKeyOHHZHNJMIGLCPO-WJRIUKBOSA-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 ≤ 500432.70
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The IUPAC name of (1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole (CID 162706264) is (1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for (1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for (1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole is Cc1ccccc1N1C(C2CCCC2)N2C(C=CC2(C2CCCCC2)C2CCCC2)[C@@H]1C.
What is the InChIKey of (1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
The InChIKey is OHHZHNJMIGLCPO-WJRIUKBOSA-N. The full InChI is InChI=1S/C30H44N2/c1-22-12-6-11-19-27(22)31-23(2)28-20-21-30(26-17-9-10-18-26,25-15-4-3-5-16-25)32(28)29(31)24-13-7-8-14-24/h6,11-12,19-21,23-26,28-29H,3-5,7-10,13-18H2,1-2H3/t23-,28?,29?,30?/m0/s1.
What are the key properties of (1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole?
(1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole has a molecular weight of 432.70 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)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 162706264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).