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

C13H14N2O — CID 44574985

IUPAC6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(C2Cc3nccn3C2)cc1
InChIInChI=1S/C13H14N2O/c1-16-12-4-2-10(3-5-12)11-8-13-14-6-7-15(13)9-11/h2-7,11H,8-9H2,1H3
InChIKeyCQPRHMLRHXLMEL-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.23
Rot. Bonds2

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

6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 44574985) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID44574985
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(C2Cc3nccn3C2)cc1
InChIInChI=1S/C13H14N2O/c1-16-12-4-2-10(3-5-12)11-8-13-14-6-7-15(13)9-11/h2-7,11H,8-9H2,1H3
InChIKeyCQPRHMLRHXLMEL-UHFFFAOYSA-N
XLogP2.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 44574985) is 6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1ccc(C2Cc3nccn3C2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is CQPRHMLRHXLMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-12-4-2-10(3-5-12)11-8-13-14-6-7-15(13)9-11/h2-7,11H,8-9H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 214.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 44574985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).