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

C17H15ClN2O2 — CID 135709455

IUPAC4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccc(Cl)cc2)=C(O)CN1c1cccc(OC)c1
InChIInChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13(9-14)20-10-15(21)16(17(20)19)11-5-7-12(18)8-6-11/h2-9,19,21H,10H2,1H3/b19-17-
InChIKeyWRLJOFZSKHUSRP-ZPHPHTNESA-N
MW314.77 g/mol
LogP4.12
Rot. Bonds3

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

4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol (PubChem CID 135709455) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol
PubChem CID135709455
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccc(Cl)cc2)=C(O)CN1c1cccc(OC)c1
InChIInChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13(9-14)20-10-15(21)16(17(20)19)11-5-7-12(18)8-6-11/h2-9,19,21H,10H2,1H3/b19-17-
InChIKeyWRLJOFZSKHUSRP-ZPHPHTNESA-N
XLogP4.12
TPSA56.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.12
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

5-imino-1-(3-methoxyphenyl)-4-phenyl-2H-pyrrol-3-ol
CID 135512441
1-(3-chlorophenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724483
5-imino-1-(3-methylphenyl)-4-phenyl-2H-pyrrol-3-ol
CID 135399999
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-imino-1-(4-methoxyphenyl)-2H-pyrrol-3-ol
CID 135510249
1-(3,4-difluorophenyl)-5-imino-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2H-pyrrol-3-ol
CID 135859753
3-(3-hydroxy-5-imino-4-phenyl-2H-pyrrol-1-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 135455053
1-(3-chloro-4-fluorophenyl)-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2H-pyrrol-3-ol
CID 135653217
4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(3-ethoxyphenyl)-5-imino-2H-pyrrol-3-ol
CID 136725433
1-(3,5-dimethoxyphenyl)-5-imino-4-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136608734
5-imino-1-(4-methoxyphenyl)-4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2H-pyrrol-3-ol
CID 136725074
5-imino-4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-methylphenyl)-2H-pyrrol-3-ol
CID 136725048
1-(2,3-dimethylphenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724479

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol?
The IUPAC name of 4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol (CID 135709455) is 4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol?
The canonical SMILES for 4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2ccc(Cl)cc2)=C(O)CN1c1cccc(OC)c1.
What is the InChIKey of 4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol?
The InChIKey is WRLJOFZSKHUSRP-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13(9-14)20-10-15(21)16(17(20)19)11-5-7-12(18)8-6-11/h2-9,19,21H,10H2,1H3/b19-17-.
What are the key properties of 4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol?
4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol has a molecular weight of 314.77 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-imino-1-(3-methoxyphenyl)-2H-pyrrol-3-ol is sourced from PubChem (CID 135709455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).