N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C17H20F3N3O2 — CID 46980036

IUPACN-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCc1ccc2nc(C(F)(F)F)n(CC(=O)N(C)CC3(C)COC3)c2c1
InChIInChI=1S/C17H20F3N3O2/c1-11-4-5-12-13(6-11)23(15(21-12)17(18,19)20)7-14(24)22(3)8-16(2)9-25-10-16/h4-6H,7-10H2,1-3H3
InChIKeySRXYKWNZEUVAAJ-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.86
Rot. Bonds4

About N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 46980036) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID46980036
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCc1ccc2nc(C(F)(F)F)n(CC(=O)N(C)CC3(C)COC3)c2c1
InChIInChI=1S/C17H20F3N3O2/c1-11-4-5-12-13(6-11)23(15(21-12)17(18,19)20)7-14(24)22(3)8-16(2)9-25-10-16/h4-6H,7-10H2,1-3H3
InChIKeySRXYKWNZEUVAAJ-UHFFFAOYSA-N
XLogP2.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 46980036) is N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide is Cc1ccc2nc(C(F)(F)F)n(CC(=O)N(C)CC3(C)COC3)c2c1.
What is the InChIKey of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is SRXYKWNZEUVAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-11-4-5-12-13(6-11)23(15(21-12)17(18,19)20)7-14(24)22(3)8-16(2)9-25-10-16/h4-6H,7-10H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 355.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-[6-methyl-2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 46980036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).