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

C16H22FN3 — CID 106742811

IUPAC6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2CCNC(C)C2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-3-8-20-15-10-13(17)4-5-14(15)19-16(20)12-6-7-18-11(2)9-12/h4-5,10-12,18H,3,6-9H2,1-2H3
InChIKeyWEIRKHWQKJTDJF-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.44
Rot. Bonds3

About 6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole

6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole (PubChem CID 106742811) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
PubChem CID106742811
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2CCNC(C)C2)nc2ccc(F)cc21
InChIInChI=1S/C16H22FN3/c1-3-8-20-15-10-13(17)4-5-14(15)19-16(20)12-6-7-18-11(2)9-12/h4-5,10-12,18H,3,6-9H2,1-2H3
InChIKeyWEIRKHWQKJTDJF-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-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742794
5-chloro-1-ethyl-2-(2-methylpiperidin-4-yl)benzimidazole
CID 106742782
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
CID 82332332
2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole
CID 64611043
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 62378276
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 84818178
6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole
CID 114422438
[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450574
1-(6-fluoro-1-propylbenzimidazol-2-yl)cycloheptan-1-amine
CID 62378122
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole?
The IUPAC name of 6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole (CID 106742811) is 6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole.
What is the SMILES notation for 6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole?
The canonical SMILES for 6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole is CCCn1c(C2CCNC(C)C2)nc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole?
The InChIKey is WEIRKHWQKJTDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-8-20-15-10-13(17)4-5-14(15)19-16(20)12-6-7-18-11(2)9-12/h4-5,10-12,18H,3,6-9H2,1-2H3.
What are the key properties of 6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole?
6-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 6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole is sourced from PubChem (CID 106742811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).