2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole

C20H14F2N2O — CID 168553774

IUPAC2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
SMILESFc1ccc(F)c(OCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C20H14F2N2O/c21-15-9-10-16(22)19(11-15)25-12-13-5-7-14(8-6-13)20-23-17-3-1-2-4-18(17)24-20/h1-11H,12H2,(H,23,24)
InChIKeyZQQHYNMMUACWLF-UHFFFAOYSA-N
MW336.34 g/mol
LogP5.09
Rot. Bonds4

About 2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole

2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole (PubChem CID 168553774) has the molecular formula C20H14F2N2O and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
PubChem CID168553774
Molecular FormulaC20H14F2N2O
Molecular Weight336.34 g/mol
Exact Mass336.11
IUPAC Name2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
SMILESFc1ccc(F)c(OCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C20H14F2N2O/c21-15-9-10-16(22)19(11-15)25-12-13-5-7-14(8-6-13)20-23-17-3-1-2-4-18(17)24-20/h1-11H,12H2,(H,23,24)
InChIKeyZQQHYNMMUACWLF-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

Analyze 2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole
CID 168553883
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole
CID 168553877
2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168554437
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole
CID 168555276
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 40704455
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline
CID 171679896

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole (CID 168553774) is 2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole is Fc1ccc(F)c(OCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of 2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole?
The InChIKey is ZQQHYNMMUACWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O/c21-15-9-10-16(22)19(11-15)25-12-13-5-7-14(8-6-13)20-23-17-3-1-2-4-18(17)24-20/h1-11H,12H2,(H,23,24).
What are the key properties of 2-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole?
2-[4-[(2,5-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-[4-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168553774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).