methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate

C16H13FN2O2 — CID 17002230

IUPACmethyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(-c2ccccc2F)nc2ccccc21
InChIInChI=1S/C16H13FN2O2/c1-21-15(20)10-19-14-9-5-4-8-13(14)18-16(19)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3
InChIKeyCCBMLEIPWWHYNX-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.02
Rot. Bonds3

About methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate

methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate (PubChem CID 17002230) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
PubChem CID17002230
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Namemethyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(-c2ccccc2F)nc2ccccc21
InChIInChI=1S/C16H13FN2O2/c1-21-15(20)10-19-14-9-5-4-8-13(14)18-16(19)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3
InChIKeyCCBMLEIPWWHYNX-UHFFFAOYSA-N
XLogP3.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole
CID 19243357
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone
CID 17002228
3-[2-(2-fluorophenyl)benzimidazol-1-yl]propanethioamide
CID 82149821
methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
methyl 2-carbazol-9-ylacetate
CID 3745219
2-(2-fluorophenyl)-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 19243301
2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid
CID 82144659
methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
CID 60789228
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-methylacetamide;methanamine;methyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate
CID 159638026
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364
methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetate
CID 56697290

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate (CID 17002230) is methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate is COC(=O)Cn1c(-c2ccccc2F)nc2ccccc21.
What is the InChIKey of methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate?
The InChIKey is CCBMLEIPWWHYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-15(20)10-19-14-9-5-4-8-13(14)18-16(19)11-6-2-3-7-12(11)17/h2-9H,10H2,1H3.
What are the key properties of methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate?
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate has a molecular weight of 284.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 17002230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).