2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C16H22N2 — CID 4286313

IUPAC2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1c(C23CC4CC(CC(C4)C2)C3)nc2n1CCC2
InChIInChI=1S/C16H22N2/c1-2-15-17-14(10-18(15)3-1)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13H,1-9H2
InChIKeyRWOVBZAWLJURLF-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.30
Rot. Bonds1

About 2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 4286313) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID4286313
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1c(C23CC4CC(CC(C4)C2)C3)nc2n1CCC2
InChIInChI=1S/C16H22N2/c1-2-15-17-14(10-18(15)3-1)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13H,1-9H2
InChIKeyRWOVBZAWLJURLF-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 4286313) is 2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1c(C23CC4CC(CC(C4)C2)C3)nc2n1CCC2.
What is the InChIKey of 2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is RWOVBZAWLJURLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-15-17-14(10-18(15)3-1)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13H,1-9H2.
What are the key properties of 2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 242.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 4286313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).