2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole

C20H13F3N2O — CID 168553877

IUPAC2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole
SMILESFc1ccc(COc2cc(F)ccc2-c2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C20H13F3N2O/c21-13-6-5-12(16(23)9-13)11-26-19-10-14(22)7-8-15(19)20-24-17-3-1-2-4-18(17)25-20/h1-10H,11H2,(H,24,25)
InChIKeyQDFDJYHFHMBHFJ-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.23
Rot. Bonds4

About 2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole

2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole (PubChem CID 168553877) has the molecular formula C20H13F3N2O and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole
PubChem CID168553877
Molecular FormulaC20H13F3N2O
Molecular Weight354.33 g/mol
Exact Mass354.10
IUPAC Name2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole
SMILESFc1ccc(COc2cc(F)ccc2-c2nc3ccccc3[nH]2)c(F)c1
InChIInChI=1S/C20H13F3N2O/c21-13-6-5-12(16(23)9-13)11-26-19-10-14(22)7-8-15(19)20-24-17-3-1-2-4-18(17)25-20/h1-10H,11H2,(H,24,25)
InChIKeyQDFDJYHFHMBHFJ-UHFFFAOYSA-N
XLogP5.23
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
CID 168553774
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551308
2-[2-[(3,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
CID 168553858
2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168554437
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide
CID 168555826
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
N-(1H-benzimidazol-2-ylmethyl)-1-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 66527055
2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole
CID 168554331
4-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168587810
[4-(1H-benzimidazol-2-yl)-2-fluorophenyl]methanol
CID 168555763

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole (CID 168553877) is 2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole is Fc1ccc(COc2cc(F)ccc2-c2nc3ccccc3[nH]2)c(F)c1.
What is the InChIKey of 2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole?
The InChIKey is QDFDJYHFHMBHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O/c21-13-6-5-12(16(23)9-13)11-26-19-10-14(22)7-8-15(19)20-24-17-3-1-2-4-18(17)25-20/h1-10H,11H2,(H,24,25).
What are the key properties of 2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole?
2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole has a molecular weight of 354.33 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole is sourced from PubChem (CID 168553877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).