1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol

C18H14F2N4O — CID 136724012

IUPAC1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1c1ccc(F)cc1F
InChIInChI=1S/C18H14F2N4O/c1-23-14-5-3-2-4-12(14)22-18(23)16-15(25)9-24(17(16)21)13-7-6-10(19)8-11(13)20/h2-8,21,25H,9H2,1H3/b21-17-
InChIKeyYOWZMFBTNIEEMM-FXBPSFAMSA-N
MW340.33 g/mol
LogP3.62
Rot. Bonds2

About 1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol

1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol (PubChem CID 136724012) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
PubChem CID136724012
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1c1ccc(F)cc1F
InChIInChI=1S/C18H14F2N4O/c1-23-14-5-3-2-4-12(14)22-18(23)16-15(25)9-24(17(16)21)13-7-6-10(19)8-11(13)20/h2-8,21,25H,9H2,1H3/b21-17-
InChIKeyYOWZMFBTNIEEMM-FXBPSFAMSA-N
XLogP3.62
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.62
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

5-imino-4-(1-methylbenzimidazol-2-yl)-1-(2-methylphenyl)-2H-pyrrol-3-ol
CID 135529586
1-(5-chloro-2-methoxyphenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 135527820
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-(4-chloro-2-methylphenyl)-4-(1-ethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol
CID 136723810
1-(4-hydroxy-2-methylphenyl)-5-imino-4-(5-methoxy-1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724338
1-(5-chloro-2-hydroxyphenyl)-4-(1,5-dimethylbenzimidazol-2-yl)-5-imino-2H-pyrrol-3-ol
CID 136724239
4-(1H-benzimidazol-2-yl)-1-(4-chloro-2-fluorophenyl)-5-imino-2H-pyrrol-3-ol
CID 135584855
5-imino-4-(1-methylbenzimidazol-2-yl)-1-(3-propan-2-yloxypropyl)-2H-pyrrol-3-ol
CID 136723985
5-imino-4-(1-methylbenzimidazol-2-yl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-3-ol
CID 136723975
4-(1-ethylbenzimidazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]-5-imino-2H-pyrrol-3-ol
CID 136723717
1-(2,4-difluorophenyl)-5-imino-4-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724755

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol (CID 136724012) is 1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc3ccccc3n2C)=C(O)CN1c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
The InChIKey is YOWZMFBTNIEEMM-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-23-14-5-3-2-4-12(14)22-18(23)16-15(25)9-24(17(16)21)13-7-6-10(19)8-11(13)20/h2-8,21,25H,9H2,1H3/b21-17-.
What are the key properties of 1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol?
1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol has a molecular weight of 340.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-imino-4-(1-methylbenzimidazol-2-yl)-2H-pyrrol-3-ol is sourced from PubChem (CID 136724012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).