2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole

C18H21FN4O — CID 177185485

IUPAC2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)nc1nc(N3CCC(CCF)CC3)ccn12
InChIInChI=1S/C18H21FN4O/c1-24-14-2-3-16-15(12-14)20-18-21-17(7-11-23(16)18)22-9-5-13(4-8-19)6-10-22/h2-3,7,11-13H,4-6,8-10H2,1H3
InChIKeyNXIKZJHSWANCAA-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.47
Rot. Bonds4

About 2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole

2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole (PubChem CID 177185485) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
PubChem CID177185485
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)nc1nc(N3CCC(CCF)CC3)ccn12
InChIInChI=1S/C18H21FN4O/c1-24-14-2-3-16-15(12-14)20-18-21-17(7-11-23(16)18)22-9-5-13(4-8-19)6-10-22/h2-3,7,11-13H,4-6,8-10H2,1H3
InChIKeyNXIKZJHSWANCAA-UHFFFAOYSA-N
XLogP3.47
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole (CID 177185485) is 2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole is COc1ccc2c(c1)nc1nc(N3CCC(CCF)CC3)ccn12.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole?
The InChIKey is NXIKZJHSWANCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-24-14-2-3-16-15(12-14)20-18-21-17(7-11-23(16)18)22-9-5-13(4-8-19)6-10-22/h2-3,7,11-13H,4-6,8-10H2,1H3.
What are the key properties of 2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole?
2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole has a molecular weight of 328.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 177185485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).