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

C7H9ClN2 — CID 123716974

IUPAC2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCc1c(Cl)nc2n1CCC2
InChIInChI=1S/C7H9ClN2/c1-5-7(8)9-6-3-2-4-10(5)6/h2-4H2,1H3
InChIKeyAMMSSYZATFPDJD-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.79
Rot. Bonds

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

2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 123716974) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID123716974
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCc1c(Cl)nc2n1CCC2
InChIInChI=1S/C7H9ClN2/c1-5-7(8)9-6-3-2-4-10(5)6/h2-4H2,1H3
InChIKeyAMMSSYZATFPDJD-UHFFFAOYSA-N
XLogP1.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 123716974) is 2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Cc1c(Cl)nc2n1CCC2.
What is the InChIKey of 2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is AMMSSYZATFPDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5-7(8)9-6-3-2-4-10(5)6/h2-4H2,1H3.
What are the key properties of 2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 156.62 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 123716974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).