2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid

C16H19FN2O2 — CID 61071138

IUPAC2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESCn1c(CC2(CC(=O)O)CCCC2)nc2cc(F)ccc21
InChIInChI=1S/C16H19FN2O2/c1-19-13-5-4-11(17)8-12(13)18-14(19)9-16(10-15(20)21)6-2-3-7-16/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,20,21)
InChIKeyUJZYREUYNGXKFY-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.29
Rot. Bonds4

About 2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid

2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid (PubChem CID 61071138) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
PubChem CID61071138
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
SMILESCn1c(CC2(CC(=O)O)CCCC2)nc2cc(F)ccc21
InChIInChI=1S/C16H19FN2O2/c1-19-13-5-4-11(17)8-12(13)18-14(19)9-16(10-15(20)21)6-2-3-7-16/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,20,21)
InChIKeyUJZYREUYNGXKFY-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid (CID 61071138) is 2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid is Cn1c(CC2(CC(=O)O)CCCC2)nc2cc(F)ccc21.
What is the InChIKey of 2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is UJZYREUYNGXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-19-13-5-4-11(17)8-12(13)18-14(19)9-16(10-15(20)21)6-2-3-7-16/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 290.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).