3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C20H20N2 — CID 12764895

IUPAC3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCCc1c(-c2ccccc2)nc2n1CC(c1ccccc1)C2
InChIInChI=1S/C20H20N2/c1-2-18-20(16-11-7-4-8-12-16)21-19-13-17(14-22(18)19)15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3
InChIKeyIAWAGAOPNNRWHJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.45
Rot. Bonds3

About 3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 12764895) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID12764895
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCCc1c(-c2ccccc2)nc2n1CC(c1ccccc1)C2
InChIInChI=1S/C20H20N2/c1-2-18-20(16-11-7-4-8-12-16)21-19-13-17(14-22(18)19)15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3
InChIKeyIAWAGAOPNNRWHJ-UHFFFAOYSA-N
XLogP4.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 12764895) is 3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is CCc1c(-c2ccccc2)nc2n1CC(c1ccccc1)C2.
What is the InChIKey of 3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is IAWAGAOPNNRWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-2-18-20(16-11-7-4-8-12-16)21-19-13-17(14-22(18)19)15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3.
What are the key properties of 3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 288.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 12764895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).