3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C7H9BrN2 — CID 83681528

IUPAC3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCc1nc2n(c1Br)CCC2
InChIInChI=1S/C7H9BrN2/c1-5-7(8)10-4-2-3-6(10)9-5/h2-4H2,1H3
InChIKeyNWVJWZQAQDUYRE-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.90
Rot. Bonds

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

3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 83681528) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID83681528
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCc1nc2n(c1Br)CCC2
InChIInChI=1S/C7H9BrN2/c1-5-7(8)10-4-2-3-6(10)9-5/h2-4H2,1H3
InChIKeyNWVJWZQAQDUYRE-UHFFFAOYSA-N
XLogP1.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 83681528) is 3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Cc1nc2n(c1Br)CCC2.
What is the InChIKey of 3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is NWVJWZQAQDUYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-5-7(8)10-4-2-3-6(10)9-5/h2-4H2,1H3.
What are the key properties of 3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 201.07 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 83681528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).