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

C12H11Br2N2- — CID 21179342

IUPAC2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide
SMILESBrc1ccc(-c2cn3c(n2)CCC3)cc1.[Br-]
InChIInChI=1S/C12H11BrN2.BrH/c13-10-5-3-9(4-6-10)11-8-15-7-1-2-12(15)14-11;/h3-6,8H,1-2,7H2;1H/p-1
InChIKeyWARJTSIXDPOQIY-UHFFFAOYSA-M
MW343.04 g/mol
LogP0.26
Rot. Bonds1

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

2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide (PubChem CID 21179342) has the molecular formula C12H11Br2N2- and a molecular weight of 343.04 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide.

Molecular Properties

Compound Name2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide
PubChem CID21179342
Molecular FormulaC12H11Br2N2-
Molecular Weight343.04 g/mol
Exact Mass340.93
IUPAC Name2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide
SMILESBrc1ccc(-c2cn3c(n2)CCC3)cc1.[Br-]
InChIInChI=1S/C12H11BrN2.BrH/c13-10-5-3-9(4-6-10)11-8-15-7-1-2-12(15)14-11;/h3-6,8H,1-2,7H2;1H/p-1
InChIKeyWARJTSIXDPOQIY-UHFFFAOYSA-M
XLogP0.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.04
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide?
The IUPAC name of 2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide (CID 21179342) is 2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide.
What is the SMILES notation for 2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide?
The canonical SMILES for 2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide is Brc1ccc(-c2cn3c(n2)CCC3)cc1.[Br-].
What is the InChIKey of 2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide?
The InChIKey is WARJTSIXDPOQIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11BrN2.BrH/c13-10-5-3-9(4-6-10)11-8-15-7-1-2-12(15)14-11;/h3-6,8H,1-2,7H2;1H/p-1.
What are the key properties of 2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide?
2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide has a molecular weight of 343.04 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole bromide is sourced from PubChem (CID 21179342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).