[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate

C18H16F2N2O3 — CID 16624713

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C18H16F2N2O3/c1-24-13-8-6-12(7-9-13)10-17(23)25-11-16-21-14-4-2-3-5-15(14)22(16)18(19)20/h2-9,18H,10-11H2,1H3
InChIKeyYDVGZXJWLXIZPV-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.73
Rot. Bonds6

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate (PubChem CID 16624713) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
PubChem CID16624713
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C18H16F2N2O3/c1-24-13-8-6-12(7-9-13)10-17(23)25-11-16-21-14-4-2-3-5-15(14)22(16)18(19)20/h2-9,18H,10-11H2,1H3
InChIKeyYDVGZXJWLXIZPV-UHFFFAOYSA-N
XLogP3.73
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 16610074
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate
CID 16624269
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
CID 16625572
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 16624884
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-[4-(trifluoromethoxy)phenyl]acetate
CID 55756648
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 16625060
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 16624372
[1-(difluoromethyl)benzimidazol-2-yl]methyl 3-bromo-4-ethoxy-5-methoxybenzoate
CID 16625175
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 32739273
2-O-[[1-(difluoromethyl)benzimidazol-2-yl]methyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16625318

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate (CID 16624713) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCc2nc3ccccc3n2C(F)F)cc1.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate?
The InChIKey is YDVGZXJWLXIZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-24-13-8-6-12(7-9-13)10-17(23)25-11-16-21-14-4-2-3-5-15(14)22(16)18(19)20/h2-9,18H,10-11H2,1H3.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate has a molecular weight of 346.33 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 16624713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).