N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide

C20H16F5N3O2 — CID 118938160

IUPACN-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide
SMILESO=C(CC1(O)CCC1)Nc1nc2ccc(C(F)(F)F)cc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H16F5N3O2/c21-12-7-13(22)9-14(8-12)28-16-6-11(20(23,24)25)2-3-15(16)26-18(28)27-17(29)10-19(30)4-1-5-19/h2-3,6-9,30H,1,4-5,10H2,(H,26,27,29)
InChIKeyIETILUPFGGZCKY-UHFFFAOYSA-N
MW425.36 g/mol
LogP4.57
Rot. Bonds4

About N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide

N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide (PubChem CID 118938160) has the molecular formula C20H16F5N3O2 and a molecular weight of 425.36 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide
PubChem CID118938160
Molecular FormulaC20H16F5N3O2
Molecular Weight425.36 g/mol
Exact Mass425.12
IUPAC NameN-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide
SMILESO=C(CC1(O)CCC1)Nc1nc2ccc(C(F)(F)F)cc2n1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H16F5N3O2/c21-12-7-13(22)9-14(8-12)28-16-6-11(20(23,24)25)2-3-15(16)26-18(28)27-17(29)10-19(30)4-1-5-19/h2-3,6-9,30H,1,4-5,10H2,(H,26,27,29)
InChIKeyIETILUPFGGZCKY-UHFFFAOYSA-N
XLogP4.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide (CID 118938160) is N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide is O=C(CC1(O)CCC1)Nc1nc2ccc(C(F)(F)F)cc2n1-c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide?
The InChIKey is IETILUPFGGZCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N3O2/c21-12-7-13(22)9-14(8-12)28-16-6-11(20(23,24)25)2-3-15(16)26-18(28)27-17(29)10-19(30)4-1-5-19/h2-3,6-9,30H,1,4-5,10H2,(H,26,27,29).
What are the key properties of N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide?
N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide has a molecular weight of 425.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide is sourced from PubChem (CID 118938160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).