5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol

C17H16N2O2 — CID 135512441

IUPAC5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(OC)c1
InChIInChI=1S/C17H16N2O2/c1-21-14-9-5-8-13(10-14)19-11-15(20)16(17(19)18)12-6-3-2-4-7-12/h2-10,18,20H,11H2,1H3/b18-17-
InChIKeyHPOVUEXCVNHYDG-ZCXUNETKSA-N
MW280.33 g/mol
LogP3.46
Rot. Bonds3

About 5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol

5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol (PubChem CID 135512441) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol
PubChem CID135512441
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(OC)c1
InChIInChI=1S/C17H16N2O2/c1-21-14-9-5-8-13(10-14)19-11-15(20)16(17(19)18)12-6-3-2-4-7-12/h2-10,18,20H,11H2,1H3/b18-17-
InChIKeyHPOVUEXCVNHYDG-ZCXUNETKSA-N
XLogP3.46
TPSA56.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(R,S/S,R)-syn-1-((3-methoxyphenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897487
1-(3-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702625
2-(2,5-Dimethoxyphenyl)isoindolin-1-imine hydrobromide
CID 2981480
5-amino-1-(3-hydroxyphenyl)-4-phenyl-1,2-dihydro-3H-pyrrol-3-one
CID 135402523
5-Methoxy-2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydroimidazo[1,2-c]quinazoline
CID 44310232
4-methoxy-N-(3-methoxyphenyl)-N'-phenylbenzenecarboximidamide
CID 72375610
N-(3-hydroxyphenyl)-4-methoxy-N'-phenylbenzenecarboximidamide
CID 72375618
5-amino-1-(1,3-benzodioxol-5-yl)-4-phenyl-1,2-dihydro-3H-pyrrol-3-one
CID 135402545
4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol
CID 135415561
Benzamidine, N-(m-(2-(diisopropylamino)ethoxy)phenyl)-N'-phenyl-, dihydrochloride
CID 54628
1-Piperazineethanol, alpha-benzyl-4-(m-methoxyphenyl)-
CID 280435
1-(3-Methoxyphenyl)-4-[4-methyl-5-(4-methylphenyl)-1,1-dioxido-3-isothiazolyl]piperazine
CID 16016836

Frequently Asked Questions

What is the IUPAC name of 5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol?
The IUPAC name of 5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol (CID 135512441) is 5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol.
What is the SMILES notation for 5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol?
The canonical SMILES for 5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(OC)c1.
What is the InChIKey of 5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol?
The InChIKey is HPOVUEXCVNHYDG-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-14-9-5-8-13(10-14)19-11-15(20)16(17(19)18)12-6-3-2-4-7-12/h2-10,18,20H,11H2,1H3/b18-17-.
What are the key properties of 5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol?
5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol has a molecular weight of 280.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135512441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).