benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate

C17H14F2N2O3 — CID 170102023

IUPACbenzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate
SMILESCc1nc2ccc(OC(F)(F)C(=O)OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C17H14F2N2O3/c1-11-20-14-8-7-13(9-15(14)21-11)24-17(18,19)16(22)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,20,21)
InChIKeyVUUCPEIOAPKMPM-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.59
Rot. Bonds5

About benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate

benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate (PubChem CID 170102023) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate.

Molecular Properties

Compound Namebenzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate
PubChem CID170102023
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Namebenzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate
SMILESCc1nc2ccc(OC(F)(F)C(=O)OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C17H14F2N2O3/c1-11-20-14-8-7-13(9-15(14)21-11)24-17(18,19)16(22)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,20,21)
InChIKeyVUUCPEIOAPKMPM-UHFFFAOYSA-N
XLogP3.59
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(1-phenylmethoxyethyl)-1H-benzimidazole
CID 59857344
2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 116838286
4-[(2-methyl-3H-benzimidazol-5-yl)oxy]butanoic acid
CID 84816240
2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 116915401
ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole
CID 143653582
acetic acid;benzyl 2,2,2-trifluoroacetate
CID 157158802
benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate
CID 42632051
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate?
The IUPAC name of benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate (CID 170102023) is benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate.
What is the SMILES notation for benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate?
The canonical SMILES for benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate is Cc1nc2ccc(OC(F)(F)C(=O)OCc3ccccc3)cc2[nH]1.
What is the InChIKey of benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate?
The InChIKey is VUUCPEIOAPKMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c1-11-20-14-8-7-13(9-15(14)21-11)24-17(18,19)16(22)23-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate?
benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate has a molecular weight of 332.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-difluoro-2-[(2-methyl-3H-benzimidazol-5-yl)oxy]acetate is sourced from PubChem (CID 170102023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).