2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide

C25H31FN4O2 — CID 175290029

IUPAC2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide
SMILESCc1cc(-c2nc3ccc(F)cc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)on1
InChIInChI=1S/C25H31FN4O2/c1-16-14-22(32-29-16)23-28-20-13-12-19(26)15-21(20)30(23)25(24(27)31,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h12-15,17-18H,2-11H2,1H3,(H2,27,31)
InChIKeyLFOSQUSEUOYODB-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.48
Rot. Bonds5

About 2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide

2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide (PubChem CID 175290029) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide
PubChem CID175290029
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide
SMILESCc1cc(-c2nc3ccc(F)cc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)on1
InChIInChI=1S/C25H31FN4O2/c1-16-14-22(32-29-16)23-28-20-13-12-19(26)15-21(20)30(23)25(24(27)31,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h12-15,17-18H,2-11H2,1H3,(H2,27,31)
InChIKeyLFOSQUSEUOYODB-UHFFFAOYSA-N
XLogP5.48
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide
CID 175290132
2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide
CID 175289983
2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide
CID 175290131
2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 174799086
2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide
CID 175290099
3-[1-(2-amino-1,1-dicyclohexyl-2-oxoethyl)-5-fluorobenzimidazol-2-yl]propanoic acid
CID 67984401
2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide
CID 175377923
2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide
CID 175290161
2,2-dicyclohexyl-2-[2-[4-(1H-pyrazol-4-yl)phenyl]benzimidazol-1-yl]acetamide;hydrochloride
CID 175388863
2,2-dicyclohexyl-2-[2-(4-imidazol-1-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 68957984
1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 122048394
(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122059626

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of 2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide (CID 175290029) is 2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for 2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide is Cc1cc(-c2nc3ccc(F)cc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)on1.
What is the InChIKey of 2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide?
The InChIKey is LFOSQUSEUOYODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-16-14-22(32-29-16)23-28-20-13-12-19(26)15-21(20)30(23)25(24(27)31,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h12-15,17-18H,2-11H2,1H3,(H2,27,31).
What are the key properties of 2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide?
2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide has a molecular weight of 438.55 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-2-[6-fluoro-2-(3-methyl-1,2-oxazol-5-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).