6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole

C19H15F2N3O — CID 140595106

IUPAC6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole
SMILESCOc1cn(-c2ccc3nc[nH]c3c2)c(-c2cccc(F)c2F)c1C
InChIInChI=1S/C19H15F2N3O/c1-11-17(25-2)9-24(12-6-7-15-16(8-12)23-10-22-15)19(11)13-4-3-5-14(20)18(13)21/h3-10H,1-2H3,(H,22,23)
InChIKeyAIEWZIGFJOMLMX-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.62
Rot. Bonds3

About 6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole

6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole (PubChem CID 140595106) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is 6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole
PubChem CID140595106
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole
SMILESCOc1cn(-c2ccc3nc[nH]c3c2)c(-c2cccc(F)c2F)c1C
InChIInChI=1S/C19H15F2N3O/c1-11-17(25-2)9-24(12-6-7-15-16(8-12)23-10-22-15)19(11)13-4-3-5-14(20)18(13)21/h3-10H,1-2H3,(H,22,23)
InChIKeyAIEWZIGFJOMLMX-UHFFFAOYSA-N
XLogP4.62
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3H-benzimidazol-5-yl)-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 29129674
1-(3H-benzimidazol-5-yl)benzimidazole
CID 67657705
1-(3H-benzimidazol-5-yl)-5-(2-chloro-3,6-difluorophenyl)-4-methylpyrrole-2,3-diol
CID 90992204
1-(3H-benzimidazol-5-yl)-2-(5-bromo-2-fluorophenyl)-4-methoxy-3-methyl-2H-pyrrol-5-one
CID 53379985
1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene
CID 119008947
6-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 50963824
2-(3H-benzimidazol-5-yl)-3-(3,4-dimethoxyphenyl)-3H-isoindol-1-one
CID 58229235
1-(3H-benzimidazol-5-yl)-5-(2,3-difluorophenyl)-4-(2,2-dimethylpropanoyl)pyrrolidine-2,3-dione
CID 123226027
1-(3H-benzimidazol-5-yl)-4-ethyl-5-(2,3,5,6-tetrafluorophenyl)pyrrole-2,3-diol
CID 91144999
1-(3H-benzimidazol-5-yl)-5-(2,4-dichlorophenyl)-4-methylpyrrole-2,3-diol
CID 91345204
N-(3H-benzimidazol-5-yl)-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166160168
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole?
The IUPAC name of 6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole (CID 140595106) is 6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole?
The canonical SMILES for 6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole is COc1cn(-c2ccc3nc[nH]c3c2)c(-c2cccc(F)c2F)c1C.
What is the InChIKey of 6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole?
The InChIKey is AIEWZIGFJOMLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c1-11-17(25-2)9-24(12-6-7-15-16(8-12)23-10-22-15)19(11)13-4-3-5-14(20)18(13)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of 6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole?
6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole has a molecular weight of 339.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-difluorophenyl)-4-methoxy-3-methylpyrrol-1-yl]-1H-benzimidazole is sourced from PubChem (CID 140595106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).