[2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate

C24H25F3N2O5 — CID 18509864

IUPAC[2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate
SMILESCOc1ccc(Cn2c(=O)n(C3CCCC3OC(C)=O)c3ccc(C(F)(F)F)cc32)cc1OC
InChIInChI=1S/C24H25F3N2O5/c1-14(30)34-20-6-4-5-18(20)29-17-9-8-16(24(25,26)27)12-19(17)28(23(29)31)13-15-7-10-21(32-2)22(11-15)33-3/h7-12,18,20H,4-6,13H2,1-3H3
InChIKeyUGBAQHUQFIRGPT-UHFFFAOYSA-N
MW478.47 g/mol
LogP4.54
Rot. Bonds6

About [2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate

[2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate (PubChem CID 18509864) has the molecular formula C24H25F3N2O5 and a molecular weight of 478.47 g/mol. Its IUPAC name is [2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate.

Molecular Properties

Compound Name[2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate
PubChem CID18509864
Molecular FormulaC24H25F3N2O5
Molecular Weight478.47 g/mol
Exact Mass478.17
IUPAC Name[2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate
SMILESCOc1ccc(Cn2c(=O)n(C3CCCC3OC(C)=O)c3ccc(C(F)(F)F)cc32)cc1OC
InChIInChI=1S/C24H25F3N2O5/c1-14(30)34-20-6-4-5-18(20)29-17-9-8-16(24(25,26)27)12-19(17)28(23(29)31)13-15-7-10-21(32-2)22(11-15)33-3/h7-12,18,20H,4-6,13H2,1-3H3
InChIKeyUGBAQHUQFIRGPT-UHFFFAOYSA-N
XLogP4.54
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate?
The IUPAC name of [2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate (CID 18509864) is [2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate.
What is the SMILES notation for [2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate?
The canonical SMILES for [2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate is COc1ccc(Cn2c(=O)n(C3CCCC3OC(C)=O)c3ccc(C(F)(F)F)cc32)cc1OC.
What is the InChIKey of [2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate?
The InChIKey is UGBAQHUQFIRGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O5/c1-14(30)34-20-6-4-5-18(20)29-17-9-8-16(24(25,26)27)12-19(17)28(23(29)31)13-15-7-10-21(32-2)22(11-15)33-3/h7-12,18,20H,4-6,13H2,1-3H3.
What are the key properties of [2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate?
[2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate has a molecular weight of 478.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]cyclopentyl] acetate is sourced from PubChem (CID 18509864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).