3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C12H11ClN2 — CID 938845

IUPAC3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESClc1ccc(-c2cnc3n2CCC3)cc1
InChIInChI=1S/C12H11ClN2/c13-10-5-3-9(4-6-10)11-8-14-12-2-1-7-15(11)12/h3-6,8H,1-2,7H2
InChIKeyUROAGBRHXNLTPV-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.15
Rot. Bonds1

About 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 938845) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID938845
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESClc1ccc(-c2cnc3n2CCC3)cc1
InChIInChI=1S/C12H11ClN2/c13-10-5-3-9(4-6-10)11-8-14-12-2-1-7-15(11)12/h3-6,8H,1-2,7H2
InChIKeyUROAGBRHXNLTPV-UHFFFAOYSA-N
XLogP3.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 938845) is 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Clc1ccc(-c2cnc3n2CCC3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is UROAGBRHXNLTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-10-5-3-9(4-6-10)11-8-14-12-2-1-7-15(11)12/h3-6,8H,1-2,7H2.
What are the key properties of 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 218.69 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 938845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).