2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole

C23H16F4N2O — CID 10386964

IUPAC2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole
SMILESC=CCOc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F
InChIInChI=1S/C23H16F4N2O/c1-2-12-30-20-11-5-10-19-22(20)28-23(21-17(26)8-4-9-18(21)27)29(19)13-14-15(24)6-3-7-16(14)25/h2-11H,1,12-13H2
InChIKeyRYRYYWMTSXLVTG-UHFFFAOYSA-N
MW412.39 g/mol
LogP5.87
Rot. Bonds6

About 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole

2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole (PubChem CID 10386964) has the molecular formula C23H16F4N2O and a molecular weight of 412.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole
PubChem CID10386964
Molecular FormulaC23H16F4N2O
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole
SMILESC=CCOc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F
InChIInChI=1S/C23H16F4N2O/c1-2-12-30-20-11-5-10-19-22(20)28-23(21-17(26)8-4-9-18(21)27)29(19)13-14-15(24)6-3-7-16(14)25/h2-11H,1,12-13H2
InChIKeyRYRYYWMTSXLVTG-UHFFFAOYSA-N
XLogP5.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.39
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
CID 507354
[1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxyindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42667209
(4-benzylpiperazin-1-yl)-[1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxyindol-2-yl]methanone
CID 42667216
1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole
CID 507391
2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole
CID 507380
2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine
CID 82067903
2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene
CID 69117199
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
1-[(2,6-difluorophenyl)methyl]-2-methylindole
CID 114934250
1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878085
1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-enoxyphenyl)-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 161154107
2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile
CID 507394

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole (CID 10386964) is 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole is C=CCOc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole?
The InChIKey is RYRYYWMTSXLVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O/c1-2-12-30-20-11-5-10-19-22(20)28-23(21-17(26)8-4-9-18(21)27)29(19)13-14-15(24)6-3-7-16(14)25/h2-11H,1,12-13H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole?
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole has a molecular weight of 412.39 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole is sourced from PubChem (CID 10386964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).