6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole

C20H17BrN2 — CID 3042609

IUPAC6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole
SMILESBrc1ccc(-c2cc3n(CCc4ccccc4)ccn3c2)cc1
InChIInChI=1S/C20H17BrN2/c21-19-8-6-17(7-9-19)18-14-20-22(12-13-23(20)15-18)11-10-16-4-2-1-3-5-16/h1-9,12-15H,10-11H2
InChIKeyHTXFJXQIFQFCQF-UHFFFAOYSA-N
MW365.27 g/mol
LogP5.41
Rot. Bonds4

About 6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole

6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole (PubChem CID 3042609) has the molecular formula C20H17BrN2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole
PubChem CID3042609
Molecular FormulaC20H17BrN2
Molecular Weight365.27 g/mol
Exact Mass364.06
IUPAC Name6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole
SMILESBrc1ccc(-c2cc3n(CCc4ccccc4)ccn3c2)cc1
InChIInChI=1S/C20H17BrN2/c21-19-8-6-17(7-9-19)18-14-20-22(12-13-23(20)15-18)11-10-16-4-2-1-3-5-16/h1-9,12-15H,10-11H2
InChIKeyHTXFJXQIFQFCQF-UHFFFAOYSA-N
XLogP5.41
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.27
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole?
The IUPAC name of 6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole (CID 3042609) is 6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole?
The canonical SMILES for 6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole is Brc1ccc(-c2cc3n(CCc4ccccc4)ccn3c2)cc1.
What is the InChIKey of 6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole?
The InChIKey is HTXFJXQIFQFCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2/c21-19-8-6-17(7-9-19)18-14-20-22(12-13-23(20)15-18)11-10-16-4-2-1-3-5-16/h1-9,12-15H,10-11H2.
What are the key properties of 6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole?
6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole has a molecular weight of 365.27 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-1-(2-phenylethyl)pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 3042609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).