4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol

C19H18N4O2 — CID 136724209

IUPAC4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3cc(C)ccc3n2C)=C(O)CN1c1ccccc1O
InChIInChI=1S/C19H18N4O2/c1-11-7-8-13-12(9-11)21-19(22(13)2)17-16(25)10-23(18(17)20)14-5-3-4-6-15(14)24/h3-9,20,24-25H,10H2,1-2H3/b20-18-
InChIKeyWAWCPCIVAIOLBH-ZZEZOPTASA-N
MW334.38 g/mol
LogP3.35
Rot. Bonds2

About 4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol

4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol (PubChem CID 136724209) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol.

Molecular Properties

Compound Name4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol
PubChem CID136724209
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3cc(C)ccc3n2C)=C(O)CN1c1ccccc1O
InChIInChI=1S/C19H18N4O2/c1-11-7-8-13-12(9-11)21-19(22(13)2)17-16(25)10-23(18(17)20)14-5-3-4-6-15(14)24/h3-9,20,24-25H,10H2,1-2H3/b20-18-
InChIKeyWAWCPCIVAIOLBH-ZZEZOPTASA-N
XLogP3.35
TPSA85.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol
CID 136724239
4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)-5-imino-2H-pyrrol-3-ol
CID 136724212
5-imino-4-(1-methylbenzimidazol-2-yl)-1-(2-methylphenyl)-2H-pyrrol-3-ol
CID 135529586
4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol
CID 136724179
methyl 3-[4-(1,5-dimethylbenzimidazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]benzoate
CID 136724201
1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724012
methyl 2-[4-[4-(1,5-dimethylbenzimidazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]phenyl]acetate
CID 136724194
1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724338
4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-1-(3-propan-2-yloxypropyl)-2H-pyrrol-3-ol
CID 136724172
1-(5-chloro-2-methoxyphenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 135527820
1-(1-benzylpiperidin-4-yl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol
CID 136724135
1-(4-bromophenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724370

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol?
The IUPAC name of 4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol (CID 136724209) is 4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol.
What is the SMILES notation for 4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol?
The canonical SMILES for 4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3cc(C)ccc3n2C)=C(O)CN1c1ccccc1O.
What is the InChIKey of 4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol?
The InChIKey is WAWCPCIVAIOLBH-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-7-8-13-12(9-11)21-19(22(13)2)17-16(25)10-23(18(17)20)14-5-3-4-6-15(14)24/h3-9,20,24-25H,10H2,1-2H3/b20-18-.
What are the key properties of 4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol?
4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol has a molecular weight of 334.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol is sourced from PubChem (CID 136724209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).