2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole

C13H16N2O — CID 23310773

IUPAC2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(C2CN3CCCC3=N2)cc1
InChIInChI=1S/C13H16N2O/c1-16-11-6-4-10(5-7-11)12-9-15-8-2-3-13(15)14-12/h4-7,12H,2-3,8-9H2,1H3
InChIKeyFRPQNJWPTMKGEM-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.24
Rot. Bonds2

About 2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole

2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole (PubChem CID 23310773) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
PubChem CID23310773
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(C2CN3CCCC3=N2)cc1
InChIInChI=1S/C13H16N2O/c1-16-11-6-4-10(5-7-11)12-9-15-8-2-3-13(15)14-12/h4-7,12H,2-3,8-9H2,1H3
InChIKeyFRPQNJWPTMKGEM-UHFFFAOYSA-N
XLogP2.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine
CID 97356672
4-(4-methoxyphenyl)-1,2-dimethyl-5,6-dihydro-4H-pyrimidine
CID 117068615
8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine
CID 13389115
(6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 159351486
2-tert-butyl-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 135139397
1-(4-methoxyphenyl)piperidine
CID 10130315
2-(4-methoxyphenyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
CID 14118925
CID 11262251
CID 11262251
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-ol
CID 167898305
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole (CID 23310773) is 2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole is COc1ccc(C2CN3CCCC3=N2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole?
The InChIKey is FRPQNJWPTMKGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-11-6-4-10(5-7-11)12-9-15-8-2-3-13(15)14-12/h4-7,12H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole?
2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole has a molecular weight of 216.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 23310773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).