2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole

C20H14F2N2O — CID 168553858

IUPAC2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
SMILESFc1cc(F)cc(OCc2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H14F2N2O/c21-14-9-15(22)11-16(10-14)25-12-13-5-1-2-6-17(13)20-23-18-7-3-4-8-19(18)24-20/h1-11H,12H2,(H,23,24)
InChIKeyRBGDXGVOLYHMEX-UHFFFAOYSA-N
MW336.34 g/mol
LogP5.09
Rot. Bonds4

About 2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole

2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole (PubChem CID 168553858) has the molecular formula C20H14F2N2O and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
PubChem CID168553858
Molecular FormulaC20H14F2N2O
Molecular Weight336.34 g/mol
Exact Mass336.11
IUPAC Name2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
SMILESFc1cc(F)cc(OCc2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H14F2N2O/c21-14-9-15(22)11-16(10-14)25-12-13-5-1-2-6-17(13)20-23-18-7-3-4-8-19(18)24-20/h1-11H,12H2,(H,23,24)
InChIKeyRBGDXGVOLYHMEX-UHFFFAOYSA-N
XLogP5.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.34
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole
CID 168553877
2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
CID 86342200
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168555101
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
4-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]thiomorpholine
CID 168553666
2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole
CID 168553695
2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168554437
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide
CID 168555826

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole (CID 168553858) is 2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole is Fc1cc(F)cc(OCc2ccccc2-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole?
The InChIKey is RBGDXGVOLYHMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O/c21-14-9-15(22)11-16(10-14)25-12-13-5-1-2-6-17(13)20-23-18-7-3-4-8-19(18)24-20/h1-11H,12H2,(H,23,24).
What are the key properties of 2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole?
2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole has a molecular weight of 336.34 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168553858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).