2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole

C20H13F3N2O — CID 168553883

IUPAC2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole
SMILESFc1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2F)cc1F
InChIInChI=1S/C20H13F3N2O/c21-14-7-5-12(9-15(14)22)11-26-19-8-6-13(10-16(19)23)20-24-17-3-1-2-4-18(17)25-20/h1-10H,11H2,(H,24,25)
InChIKeyVTIGNHSMARIMDK-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.23
Rot. Bonds4

About 2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole

2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole (PubChem CID 168553883) has the molecular formula C20H13F3N2O and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole
PubChem CID168553883
Molecular FormulaC20H13F3N2O
Molecular Weight354.33 g/mol
Exact Mass354.10
IUPAC Name2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole
SMILESFc1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2F)cc1F
InChIInChI=1S/C20H13F3N2O/c21-14-7-5-12(9-15(14)22)11-26-19-8-6-13(10-16(19)23)20-24-17-3-1-2-4-18(17)25-20/h1-10H,11H2,(H,24,25)
InChIKeyVTIGNHSMARIMDK-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

Analyze 2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-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-[(2,5-difluorophenoxy)methyl]phenyl]-1H-benzimidazole
CID 168553774
2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole
CID 143712602
2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168554437
[4-(1H-benzimidazol-2-yl)-2-fluorophenyl]methanol
CID 168555763
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
CID 19224191
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole (CID 168553883) is 2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole is Fc1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cc2F)cc1F.
What is the InChIKey of 2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole?
The InChIKey is VTIGNHSMARIMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O/c21-14-7-5-12(9-15(14)22)11-26-19-8-6-13(10-16(19)23)20-24-17-3-1-2-4-18(17)25-20/h1-10H,11H2,(H,24,25).
What are the key properties of 2-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole?
2-[4-[(3,4-difluorophenyl)methoxy]-3-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-[4-[(3,4-difluorophenyl)methoxy]-3-fluorophenyl]-1H-benzimidazole is sourced from PubChem (CID 168553883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).