methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate

C15H17FN2O2 — CID 115926134

IUPACmethyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate
SMILESCOC(=O)C(c1nc2c(F)cccc2[nH]1)C1CCCC1
InChIInChI=1S/C15H17FN2O2/c1-20-15(19)12(9-5-2-3-6-9)14-17-11-8-4-7-10(16)13(11)18-14/h4,7-9,12H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyUEXXVHTXNDWHBR-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.15
Rot. Bonds3

About methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate

methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate (PubChem CID 115926134) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate
PubChem CID115926134
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Namemethyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate
SMILESCOC(=O)C(c1nc2c(F)cccc2[nH]1)C1CCCC1
InChIInChI=1S/C15H17FN2O2/c1-20-15(19)12(9-5-2-3-6-9)14-17-11-8-4-7-10(16)13(11)18-14/h4,7-9,12H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyUEXXVHTXNDWHBR-UHFFFAOYSA-N
XLogP3.15
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate
CID 115926140
ethyl 2-(4-fluoro-1H-benzimidazol-2-yl)propanoate
CID 79474563
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
2-[(1R)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanamide
CID 155622329
2-amino-4-(2-ethylpiperidin-1-yl)-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxobutanamide
CID 138545025
[(2S)-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]carbamic acid
CID 138545347
methyl 2-cyclopentyl-2-(2,6-dioxo-3,7-dihydropurin-8-yl)acetate
CID 114401865
(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
[4-[(2S)-2-ethylpiperidin-1-yl]-1-[1-(4-fluoro-1H-benzimidazol-2-yl)ethylamino]-1,4-dioxobutan-2-yl]carbamic acid
CID 138545215
4-fluoro-2-[methoxy(phenyl)methyl]-1H-benzimidazole
CID 64724565
4-fluoro-1H-benzimidazole-2-carboxylic acid
CID 2723751
benzyl N-[(2S)-1-[[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]amino]-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]carbamate;ethane;molecular hydrogen
CID 142558278

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate?
The IUPAC name of methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate (CID 115926134) is methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate.
What is the SMILES notation for methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate?
The canonical SMILES for methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate is COC(=O)C(c1nc2c(F)cccc2[nH]1)C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate?
The InChIKey is UEXXVHTXNDWHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-20-15(19)12(9-5-2-3-6-9)14-17-11-8-4-7-10(16)13(11)18-14/h4,7-9,12H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate?
methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate has a molecular weight of 276.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-2-(4-fluoro-1H-benzimidazol-2-yl)acetate is sourced from PubChem (CID 115926134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).