2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole

C26H22Cl3FN2O3 — CID 73345261

IUPAC2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole
SMILESF[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1c(Cl)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C26H22Cl3FN2O3/c27-18-11-20-21(12-19(18)28)32(26(29)31-20)25-23(30)24(34-14-17-9-5-2-6-10-17)22(35-25)15-33-13-16-7-3-1-4-8-16/h1-12,22-25H,13-15H2/t22-,23+,24-,25-/m1/s1
InChIKeyAMIOGXMMVRZQMW-ZFFYZDHPSA-N
MW535.83 g/mol
LogP7.03
Rot. Bonds8

About 2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole

2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole (PubChem CID 73345261) has the molecular formula C26H22Cl3FN2O3 and a molecular weight of 535.83 g/mol. Its IUPAC name is 2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole.

Molecular Properties

Compound Name2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole
PubChem CID73345261
Molecular FormulaC26H22Cl3FN2O3
Molecular Weight535.83 g/mol
Exact Mass534.07
IUPAC Name2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole
SMILESF[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1c(Cl)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C26H22Cl3FN2O3/c27-18-11-20-21(12-19(18)28)32(26(29)31-20)25-23(30)24(34-14-17-9-5-2-6-10-17)22(35-25)15-33-13-16-7-3-1-4-8-16/h1-12,22-25H,13-15H2/t22-,23+,24-,25-/m1/s1
InChIKeyAMIOGXMMVRZQMW-ZFFYZDHPSA-N
XLogP7.03
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.83
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
2,5,6-trichloro-1-[(2R,3S,4R,5R)-3,4-ditrityloxy-5-(trityloxymethyl)oxolan-2-yl]benzimidazole
CID 73351375
(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 130316791
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
(2S,3R,4R,5S)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 118336610
(3R,4R,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 126693162
2-chloro-7-[(3R,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167132890
7-[(3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163997566
(2R,3R,4R,5S,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90920188
9-[(3S,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-chloropurine
CID 154710604
(2R,3R,4S,5R)-2-bromo-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 102041526
(2R,5R)-2-chloro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 154723148

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole?
The IUPAC name of 2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole (CID 73345261) is 2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole.
What is the SMILES notation for 2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole?
The canonical SMILES for 2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole is F[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1c(Cl)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole?
The InChIKey is AMIOGXMMVRZQMW-ZFFYZDHPSA-N. The full InChI is InChI=1S/C26H22Cl3FN2O3/c27-18-11-20-21(12-19(18)28)32(26(29)31-20)25-23(30)24(34-14-17-9-5-2-6-10-17)22(35-25)15-33-13-16-7-3-1-4-8-16/h1-12,22-25H,13-15H2/t22-,23+,24-,25-/m1/s1.
What are the key properties of 2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole?
2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole has a molecular weight of 535.83 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trichloro-1-[(2R,3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]benzimidazole is sourced from PubChem (CID 73345261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).