1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol

C20H20N4O3 — CID 136724338

IUPAC1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3cc(OC)ccc3n2C)=C(O)CN1c1ccc(O)cc1C
InChIInChI=1S/C20H20N4O3/c1-11-8-12(25)4-6-15(11)24-10-17(26)18(19(24)21)20-22-14-9-13(27-3)5-7-16(14)23(20)2/h4-9,21,25-26H,10H2,1-3H3/b21-19-
InChIKeyZHKJZXHZSSYXFP-VZCXRCSSSA-N
MW364.41 g/mol
LogP3.36
Rot. Bonds3

About 1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol

1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol (PubChem CID 136724338) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
PubChem CID136724338
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3cc(OC)ccc3n2C)=C(O)CN1c1ccc(O)cc1C
InChIInChI=1S/C20H20N4O3/c1-11-8-12(25)4-6-15(11)24-10-17(26)18(19(24)21)20-22-14-9-13(27-3)5-7-16(14)23(20)2/h4-9,21,25-26H,10H2,1-3H3/b21-19-
InChIKeyZHKJZXHZSSYXFP-VZCXRCSSSA-N
XLogP3.36
TPSA94.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724370
N-[4-[3-hydroxy-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-1-yl]phenyl]acetamide
CID 136724357
5-imino-4-(1-methylbenzimidazol-2-yl)-1-(2-methylphenyl)-2H-pyrrol-3-ol
CID 135529586
4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol
CID 136724209
1-(5-chloro-2-methoxyphenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 135527820
1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724012
4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)-5-imino-2H-pyrrol-3-ol
CID 136724212
1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol
CID 136724239
methyl 2-[4-[4-(1,5-dimethylbenzimidazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]phenyl]acetate
CID 136724194
methyl 3-[4-(1,5-dimethylbenzimidazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]benzoate
CID 136724201
1-(2,3-dimethylphenyl)-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724479
4-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(4-hydroxy-2-methylphenyl)-5-imino-2H-pyrrol-3-ol
CID 136725508

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The IUPAC name of 1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol (CID 136724338) is 1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol.
What is the SMILES notation for 1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The canonical SMILES for 1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3cc(OC)ccc3n2C)=C(O)CN1c1ccc(O)cc1C.
What is the InChIKey of 1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The InChIKey is ZHKJZXHZSSYXFP-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-11-8-12(25)4-6-15(11)24-10-17(26)18(19(24)21)20-22-14-9-13(27-3)5-7-16(14)23(20)2/h4-9,21,25-26H,10H2,1-3H3/b21-19-.
What are the key properties of 1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol has a molecular weight of 364.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol is sourced from PubChem (CID 136724338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).