N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide

C21H16F7N3O3 — CID 118938158

IUPACN-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide
SMILESO=C(CC1(O)CCC1)Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C21H16F7N3O3/c22-13-9-12(3-5-16(13)34-21(26,27)28)31-15-8-11(20(23,24)25)2-4-14(15)29-18(31)30-17(32)10-19(33)6-1-7-19/h2-5,8-9,33H,1,6-7,10H2,(H,29,30,32)
InChIKeyYRMUNNOMMXZURH-UHFFFAOYSA-N
MW491.36 g/mol
LogP5.33
Rot. Bonds5

About N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide

N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide (PubChem CID 118938158) has the molecular formula C21H16F7N3O3 and a molecular weight of 491.36 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide
PubChem CID118938158
Molecular FormulaC21H16F7N3O3
Molecular Weight491.36 g/mol
Exact Mass491.11
IUPAC NameN-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide
SMILESO=C(CC1(O)CCC1)Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C21H16F7N3O3/c22-13-9-12(3-5-16(13)34-21(26,27)28)31-15-8-11(20(23,24)25)2-4-14(15)29-18(31)30-17(32)10-19(33)6-1-7-19/h2-5,8-9,33H,1,6-7,10H2,(H,29,30,32)
InChIKeyYRMUNNOMMXZURH-UHFFFAOYSA-N
XLogP5.33
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.36
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide 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 N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide?
The IUPAC name of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide (CID 118938158) is N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide.
What is the SMILES notation for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide?
The canonical SMILES for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide is O=C(CC1(O)CCC1)Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide?
The InChIKey is YRMUNNOMMXZURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F7N3O3/c22-13-9-12(3-5-16(13)34-21(26,27)28)31-15-8-11(20(23,24)25)2-4-14(15)29-18(31)30-17(32)10-19(33)6-1-7-19/h2-5,8-9,33H,1,6-7,10H2,(H,29,30,32).
What are the key properties of N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide?
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide has a molecular weight of 491.36 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-yl]-2-(1-hydroxycyclobutyl)acetamide is sourced from PubChem (CID 118938158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).