4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol

C19H20N2O3 — CID 135415561

IUPAC4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccc(OC)c(OC)c2)=C(O)C(C)N1c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-12-18(22)17(13-9-10-15(23-2)16(11-13)24-3)19(20)21(12)14-7-5-4-6-8-14/h4-12,20,22H,1-3H3/b20-19-
InChIKeyFDYUMFVCVYVNSS-VXPUYCOJSA-N
MW324.38 g/mol
LogP3.86
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol

4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol (PubChem CID 135415561) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol
PubChem CID135415561
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccc(OC)c(OC)c2)=C(O)C(C)N1c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-12-18(22)17(13-9-10-15(23-2)16(11-13)24-3)19(20)21(12)14-7-5-4-6-8-14/h4-12,20,22H,1-3H3/b20-19-
InChIKeyFDYUMFVCVYVNSS-VXPUYCOJSA-N
XLogP3.86
TPSA65.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-({[4-(Benzyloxy)-3-methoxyphenyl]methyl}amino)benzene-1-carboximidamide
CID 23646462
4-{[(3,4-Diethoxyphenyl)methyl]amino}benzene-1-carboximidamide
CID 23646461
4-{[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]methyl}-N,N-diethylaniline
CID 1378271
6-(3,4-Dimethoxyphenyl)-1-PH-1,6-dihydro-1,3,5-triazine-2,4-diamine hcl
CID 6602877
5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol
CID 135512441
4-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylamino]benzenecarboximidamide
CID 155530228
3-[(3-Methoxy-4-phenylmethoxyphenyl)methylamino]benzenecarboximidamide
CID 155530554
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dihydro-3H-1-benzazepin-2-amine
CID 135401642
4-(3,4-Dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
CID 12909692
4-(3,4-Dimethoxyphenyl)-2-ethyl-3-methyl-4,5-dihydro-1,3-benzodiazepine
CID 12909712
N-[1-(3,4-dimethoxyphenyl)but-3-enyl]aniline
CID 2772055
1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
CID 135439899

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol (CID 135415561) is 4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2ccc(OC)c(OC)c2)=C(O)C(C)N1c1ccccc1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol?
The InChIKey is FDYUMFVCVYVNSS-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-18(22)17(13-9-10-15(23-2)16(11-13)24-3)19(20)21(12)14-7-5-4-6-8-14/h4-12,20,22H,1-3H3/b20-19-.
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol?
4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol has a molecular weight of 324.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-imino-2-methyl-1-phenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135415561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).