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

C19H17ClN4O2 — CID 136724239

IUPAC1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3cc(C)ccc3n2C)=C(O)CN1c1cc(Cl)ccc1O
InChIInChI=1S/C19H17ClN4O2/c1-10-3-5-13-12(7-10)22-19(23(13)2)17-16(26)9-24(18(17)21)14-8-11(20)4-6-15(14)25/h3-8,21,25-26H,9H2,1-2H3/b21-18-
InChIKeyGALJJNIIUIDWIO-UZYVYHOESA-N
MW368.82 g/mol
LogP4.01
Rot. Bonds2

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

1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol (PubChem CID 136724239) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol
PubChem CID136724239
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3cc(C)ccc3n2C)=C(O)CN1c1cc(Cl)ccc1O
InChIInChI=1S/C19H17ClN4O2/c1-10-3-5-13-12(7-10)22-19(23(13)2)17-16(26)9-24(18(17)21)14-8-11(20)4-6-15(14)25/h3-8,21,25-26H,9H2,1-2H3/b21-18-
InChIKeyGALJJNIIUIDWIO-UZYVYHOESA-N
XLogP4.01
TPSA85.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-hydroxyphenyl)-5-imino-2H-pyrrol-3-ol
CID 136724209
4-(1,5-dimethylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)-5-imino-2H-pyrrol-3-ol
CID 136724212
1-(5-chloro-2-methoxyphenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 135527820
5-imino-4-(1-methylbenzimidazol-2-yl)-1-(2-methylphenyl)-2H-pyrrol-3-ol
CID 135529586
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
4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-1-(4-phenylmethoxyphenyl)-2H-pyrrol-3-ol
CID 136724179
1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724012
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-hydroxyphenyl)-4-(6-fluoro-1H-benzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol
CID 136724627
1-(1-benzylpiperidin-4-yl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol
CID 136724135

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol (CID 136724239) is 1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3cc(C)ccc3n2C)=C(O)CN1c1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol?
The InChIKey is GALJJNIIUIDWIO-UZYVYHOESA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-10-3-5-13-12(7-10)22-19(23(13)2)17-16(26)9-24(18(17)21)14-8-11(20)4-6-15(14)25/h3-8,21,25-26H,9H2,1-2H3/b21-18-.
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol?
1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol has a molecular weight of 368.82 g/mol, XLogP of 4.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol is sourced from PubChem (CID 136724239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).