4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole

C15H20FN3 — CID 60784787

IUPAC4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole
SMILESCCCn1c(C2CCCCN2)nc2c(F)cccc21
InChIInChI=1S/C15H20FN3/c1-2-10-19-13-8-5-6-11(16)14(13)18-15(19)12-7-3-4-9-17-12/h5-6,8,12,17H,2-4,7,9-10H2,1H3
InChIKeyJYCPXFWZQSAGLI-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.40
Rot. Bonds3

About 4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole

4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole (PubChem CID 60784787) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole.

Molecular Properties

Compound Name4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole
PubChem CID60784787
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole
SMILESCCCn1c(C2CCCCN2)nc2c(F)cccc21
InChIInChI=1S/C15H20FN3/c1-2-10-19-13-8-5-6-11(16)14(13)18-15(19)12-7-3-4-9-17-12/h5-6,8,12,17H,2-4,7,9-10H2,1H3
InChIKeyJYCPXFWZQSAGLI-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742794
1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole
CID 114422463
2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole
CID 114427713
1-hexyl-2-pyrrolidin-2-ylbenzimidazole
CID 175346334
2-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methylcyclohexan-1-amine
CID 83210870
1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide
CID 18428060
2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole
CID 114422438
1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672217
2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62388125
(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 94552646
N-cyclohexyl-3-(2-cyclohexyl-4-fluorobenzimidazol-1-yl)-N-ethylpropanamide
CID 170097361
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole?
The IUPAC name of 4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole (CID 60784787) is 4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole.
What is the SMILES notation for 4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole?
The canonical SMILES for 4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole is CCCn1c(C2CCCCN2)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole?
The InChIKey is JYCPXFWZQSAGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-10-19-13-8-5-6-11(16)14(13)18-15(19)12-7-3-4-9-17-12/h5-6,8,12,17H,2-4,7,9-10H2,1H3.
What are the key properties of 4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole?
4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole has a molecular weight of 261.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole is sourced from PubChem (CID 60784787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).