5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol

C27H20BrFN2O2 — CID 170765429

IUPAC5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol
SMILESOc1cc(Br)ccc1-c1nc2cc(OCc3ccccc3)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C27H20BrFN2O2/c28-20-8-12-23(26(32)14-20)27-30-24-15-22(33-17-19-4-2-1-3-5-19)11-13-25(24)31(27)16-18-6-9-21(29)10-7-18/h1-15,32H,16-17H2
InChIKeyPINVWIVQHNUYDS-UHFFFAOYSA-N
MW503.37 g/mol
LogP6.94
Rot. Bonds6

About 5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol

5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol (PubChem CID 170765429) has the molecular formula C27H20BrFN2O2 and a molecular weight of 503.37 g/mol. Its IUPAC name is 5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol.

Molecular Properties

Compound Name5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol
PubChem CID170765429
Molecular FormulaC27H20BrFN2O2
Molecular Weight503.37 g/mol
Exact Mass502.07
IUPAC Name5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol
SMILESOc1cc(Br)ccc1-c1nc2cc(OCc3ccccc3)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C27H20BrFN2O2/c28-20-8-12-23(26(32)14-20)27-30-24-15-22(33-17-19-4-2-1-3-5-19)11-13-25(24)31(27)16-18-6-9-21(29)10-7-18/h1-15,32H,16-17H2
InChIKeyPINVWIVQHNUYDS-UHFFFAOYSA-N
XLogP6.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.37
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole
CID 170765469
1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole
CID 170765439
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-[[4-[(5-bromo-2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1-[(4-phenylmethoxyphenyl)methyl]benzimidazole
CID 10290063
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
2,4,6-tris(1-benzylbenzimidazol-2-yl)phenol
CID 139146415
1-benzyl-4-hydroxy-6-phenylmethoxyquinolin-2-one
CID 54729466
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
1-benzyl-6-bromoquinoxalin-2-one
CID 90152761

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol?
The IUPAC name of 5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol (CID 170765429) is 5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol.
What is the SMILES notation for 5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol?
The canonical SMILES for 5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol is Oc1cc(Br)ccc1-c1nc2cc(OCc3ccccc3)ccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol?
The InChIKey is PINVWIVQHNUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20BrFN2O2/c28-20-8-12-23(26(32)14-20)27-30-24-15-22(33-17-19-4-2-1-3-5-19)11-13-25(24)31(27)16-18-6-9-21(29)10-7-18/h1-15,32H,16-17H2.
What are the key properties of 5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol?
5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol has a molecular weight of 503.37 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol is sourced from PubChem (CID 170765429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).