4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole

C16H22FN3 — CID 106742794

IUPAC4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2CCNC(C)C2)nc2c(F)cccc21
InChIInChI=1S/C16H22FN3/c1-3-9-20-14-6-4-5-13(17)15(14)19-16(20)12-7-8-18-11(2)10-12/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyOFKFMOMIIMWQDD-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.44
Rot. Bonds3

About 4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole

4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole (PubChem CID 106742794) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole.

Molecular Properties

Compound Name4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
PubChem CID106742794
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2CCNC(C)C2)nc2c(F)cccc21
InChIInChI=1S/C16H22FN3/c1-3-9-20-14-6-4-5-13(17)15(14)19-16(20)12-7-8-18-11(2)10-12/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyOFKFMOMIIMWQDD-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole
CID 60784787
6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742811
1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole
CID 114422463
2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole
CID 114427713
5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole
CID 106742782
N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide
CID 170097361
2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole
CID 114422438
4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144070
2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83210870
2-(1-chloroethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414370
6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 60783351
1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672217

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole?
The IUPAC name of 4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole (CID 106742794) is 4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole.
What is the SMILES notation for 4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole?
The canonical SMILES for 4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole is CCCn1c(C2CCNC(C)C2)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole?
The InChIKey is OFKFMOMIIMWQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-9-20-14-6-4-5-13(17)15(14)19-16(20)12-7-8-18-11(2)10-12/h4-6,11-12,18H,3,7-10H2,1-2H3.
What are the key properties of 4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole?
4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole has a molecular weight of 275.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole is sourced from PubChem (CID 106742794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).