7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole

C15H14F2N2O — CID 141432364

IUPAC7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole
SMILESCOc1ccc(CN2CNc3c(F)cccc32)cc1F
InChIInChI=1S/C15H14F2N2O/c1-20-14-6-5-10(7-12(14)17)8-19-9-18-15-11(16)3-2-4-13(15)19/h2-7,18H,8-9H2,1H3
InChIKeyVQDMXYRUBSYKAG-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.36
Rot. Bonds3

About 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole

7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole (PubChem CID 141432364) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole
PubChem CID141432364
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole
SMILESCOc1ccc(CN2CNc3c(F)cccc32)cc1F
InChIInChI=1S/C15H14F2N2O/c1-20-14-6-5-10(7-12(14)17)8-19-9-18-15-11(16)3-2-4-13(15)19/h2-7,18H,8-9H2,1H3
InChIKeyVQDMXYRUBSYKAG-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 136520306
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
5-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916050
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64883584
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212932
3-tert-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 64832825
1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 66202694
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole?
The IUPAC name of 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole (CID 141432364) is 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole.
What is the SMILES notation for 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole?
The canonical SMILES for 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole is COc1ccc(CN2CNc3c(F)cccc32)cc1F.
What is the InChIKey of 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole?
The InChIKey is VQDMXYRUBSYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-20-14-6-5-10(7-12(14)17)8-19-9-18-15-11(16)3-2-4-13(15)19/h2-7,18H,8-9H2,1H3.
What are the key properties of 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole?
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole has a molecular weight of 276.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]-1,2-dihydrobenzimidazole is sourced from PubChem (CID 141432364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).