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

C22H17ClF2N2O — CID 89433703

IUPAC6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole
SMILESCC(c1ccc(OCc2cc(F)ccc2F)cc1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H17ClF2N2O/c1-13(22-26-20-9-4-16(23)11-21(20)27-22)14-2-6-18(7-3-14)28-12-15-10-17(24)5-8-19(15)25/h2-11,13H,12H2,1H3,(H,26,27)
InChIKeyJCQMRQAMROOVNS-UHFFFAOYSA-N
MW398.84 g/mol
LogP6.23
Rot. Bonds5

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

6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole (PubChem CID 89433703) has the molecular formula C22H17ClF2N2O and a molecular weight of 398.84 g/mol. Its IUPAC name is 6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole
PubChem CID89433703
Molecular FormulaC22H17ClF2N2O
Molecular Weight398.84 g/mol
Exact Mass398.10
IUPAC Name6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole
SMILESCC(c1ccc(OCc2cc(F)ccc2F)cc1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H17ClF2N2O/c1-13(22-26-20-9-4-16(23)11-21(20)27-22)14-2-6-18(7-3-14)28-12-15-10-17(24)5-8-19(15)25/h2-11,13H,12H2,1H3,(H,26,27)
InChIKeyJCQMRQAMROOVNS-UHFFFAOYSA-N
XLogP6.23
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.84
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole (CID 89433703) is 6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole is CC(c1ccc(OCc2cc(F)ccc2F)cc1)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole?
The InChIKey is JCQMRQAMROOVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O/c1-13(22-26-20-9-4-16(23)11-21(20)27-22)14-2-6-18(7-3-14)28-12-15-10-17(24)5-8-19(15)25/h2-11,13H,12H2,1H3,(H,26,27).
What are the key properties of 6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole?
6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole has a molecular weight of 398.84 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole is sourced from PubChem (CID 89433703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).