6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole

C23H19ClF2N2O2 — CID 54673270

IUPAC6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole
SMILESCCOC(c1ccc(OCc2cc(F)ccc2F)cc1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H19ClF2N2O2/c1-2-29-22(23-27-20-10-5-16(24)12-21(20)28-23)14-3-7-18(8-4-14)30-13-15-11-17(25)6-9-19(15)26/h3-12,22H,2,13H2,1H3,(H,27,28)
InChIKeyOISQUAYYQVBJNK-UHFFFAOYSA-N
MW428.87 g/mol
LogP6.20
Rot. Bonds7

About 6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole

6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole (PubChem CID 54673270) has the molecular formula C23H19ClF2N2O2 and a molecular weight of 428.87 g/mol. Its IUPAC name is 6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole
PubChem CID54673270
Molecular FormulaC23H19ClF2N2O2
Molecular Weight428.87 g/mol
Exact Mass428.11
IUPAC Name6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole
SMILESCCOC(c1ccc(OCc2cc(F)ccc2F)cc1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H19ClF2N2O2/c1-2-29-22(23-27-20-10-5-16(24)12-21(20)28-23)14-3-7-18(8-4-14)30-13-15-11-17(25)6-9-19(15)26/h3-12,22H,2,13H2,1H3,(H,27,28)
InChIKeyOISQUAYYQVBJNK-UHFFFAOYSA-N
XLogP6.20
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.87
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole (CID 54673270) is 6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole is CCOC(c1ccc(OCc2cc(F)ccc2F)cc1)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole?
The InChIKey is OISQUAYYQVBJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O2/c1-2-29-22(23-27-20-10-5-16(24)12-21(20)28-23)14-3-7-18(8-4-14)30-13-15-11-17(25)6-9-19(15)26/h3-12,22H,2,13H2,1H3,(H,27,28).
What are the key properties of 6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole?
6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole has a molecular weight of 428.87 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole is sourced from PubChem (CID 54673270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).