3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid

C16H20FN3O2 — CID 82310169

IUPAC3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid
SMILESCn1c(C2CCN(CCC(=O)O)CC2)nc2cc(F)ccc21
InChIInChI=1S/C16H20FN3O2/c1-19-14-3-2-12(17)10-13(14)18-16(19)11-4-7-20(8-5-11)9-6-15(21)22/h2-3,10-11H,4-9H2,1H3,(H,21,22)
InChIKeyGJYZFSYZEDOJAP-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.37
Rot. Bonds4

About 3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid

3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid (PubChem CID 82310169) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid
PubChem CID82310169
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid
SMILESCn1c(C2CCN(CCC(=O)O)CC2)nc2cc(F)ccc21
InChIInChI=1S/C16H20FN3O2/c1-19-14-3-2-12(17)10-13(14)18-16(19)11-4-7-20(8-5-11)9-6-15(21)22/h2-3,10-11H,4-9H2,1H3,(H,21,22)
InChIKeyGJYZFSYZEDOJAP-UHFFFAOYSA-N
XLogP2.37
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-1-yl]propanoic acid
CID 82167824
2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid
CID 124926342
2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60783416
2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391706
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 43661245
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 68694369
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid
CID 82497559
(E)-3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)prop-2-enoic acid
CID 82497233
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110786170
5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
CID 83857852

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid (CID 82310169) is 3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid is Cn1c(C2CCN(CCC(=O)O)CC2)nc2cc(F)ccc21.
What is the InChIKey of 3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid?
The InChIKey is GJYZFSYZEDOJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-19-14-3-2-12(17)10-13(14)18-16(19)11-4-7-20(8-5-11)9-6-15(21)22/h2-3,10-11H,4-9H2,1H3,(H,21,22).
What are the key properties of 3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid?
3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid has a molecular weight of 305.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 82310169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).