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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Related Compounds

2-(4-phenylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 3697667
2-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 54458815
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82117431
2-(4-ethynylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 177207982
2-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrobromide
CID 44789328
2-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83218637
N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]formamide
CID 168652444
2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 126832344
(8S)-2-(4-bromophenyl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462803
[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methanamine
CID 84734776
4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283176
2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 69398542

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).