6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C14H16N2O — CID 44574989

IUPAC6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOCc1ccccc1C1Cc2nccn2C1
InChIInChI=1S/C14H16N2O/c1-17-10-11-4-2-3-5-13(11)12-8-14-15-6-7-16(14)9-12/h2-7,12H,8-10H2,1H3
InChIKeyVLRKQMQYVWMCDX-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.37
Rot. Bonds3

About 6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 44574989) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID44574989
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOCc1ccccc1C1Cc2nccn2C1
InChIInChI=1S/C14H16N2O/c1-17-10-11-4-2-3-5-13(11)12-8-14-15-6-7-16(14)9-12/h2-7,12H,8-10H2,1H3
InChIKeyVLRKQMQYVWMCDX-UHFFFAOYSA-N
XLogP2.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 44574989) is 6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COCc1ccccc1C1Cc2nccn2C1.
What is the InChIKey of 6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is VLRKQMQYVWMCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-10-11-4-2-3-5-13(11)12-8-14-15-6-7-16(14)9-12/h2-7,12H,8-10H2,1H3.
What are the key properties of 6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 228.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methoxymethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 44574989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).