2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole

C17H19FN4 — CID 53339381

IUPAC2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole
SMILESFCCC1CCN(c2ccn3c(n2)nc2ccccc23)CC1
InChIInChI=1S/C17H19FN4/c18-9-5-13-6-10-21(11-7-13)16-8-12-22-15-4-2-1-3-14(15)19-17(22)20-16/h1-4,8,12-13H,5-7,9-11H2
InChIKeyDWSFKWXDRBTTCG-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.46
Rot. Bonds3

About 2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole

2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole (PubChem CID 53339381) has the molecular formula C17H19FN4 and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole
PubChem CID53339381
Molecular FormulaC17H19FN4
Molecular Weight298.36 g/mol
Exact Mass298.16
IUPAC Name2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole
SMILESFCCC1CCN(c2ccn3c(n2)nc2ccccc23)CC1
InChIInChI=1S/C17H19FN4/c18-9-5-13-6-10-21(11-7-13)16-8-12-22-15-4-2-1-3-14(15)19-17(22)20-16/h1-4,8,12-13H,5-7,9-11H2
InChIKeyDWSFKWXDRBTTCG-UHFFFAOYSA-N
XLogP3.46
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole (CID 53339381) is 2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole is FCCC1CCN(c2ccn3c(n2)nc2ccccc23)CC1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole?
The InChIKey is DWSFKWXDRBTTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c18-9-5-13-6-10-21(11-7-13)16-8-12-22-15-4-2-1-3-14(15)19-17(22)20-16/h1-4,8,12-13H,5-7,9-11H2.
What are the key properties of 2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole?
2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole has a molecular weight of 298.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 53339381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).