2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole

C17H19FN4 — CID 140959426

IUPAC2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole
SMILES[3H]c1ccc2nc3nc(N4CCC(CCF)CC4)ccn3c2c1
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/i2T
InChIKeyDWSFKWXDRBTTCG-FUPOQFPWSA-N
MW300.37 g/mol
LogP3.46
Rot. Bonds3

About 2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole

2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole (PubChem CID 140959426) has the molecular formula C17H19FN4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole
PubChem CID140959426
Molecular FormulaC17H19FN4
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole
SMILES[3H]c1ccc2nc3nc(N4CCC(CCF)CC4)ccn3c2c1
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/i2T
InChIKeyDWSFKWXDRBTTCG-FUPOQFPWSA-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 ≤ 500300.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
CID 177185485
2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethane-1,1,1-triol
CID 166811396
2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
CID 177185504
[1,1-dideuterio-2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethyl] benzoate
CID 155272482
2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177185487
7-iodo-2-[4-(3,3,3-trifluoropropyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177185512
2-[4-[2-(1,1,2-trideuterio-2-(18F)fluoropropoxy)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 122520096
2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177311837
7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine
CID 86342279
8,9-difluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole;3-fluoro-2-piperazin-1-ylpyrimido[1,2-a]benzimidazole;2-piperidin-1-ylpyrimido[1,2-a]benzimidazole;2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethanol
CID 162164652
2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole
CID 149013956
1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol
CID 58362653

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole (CID 140959426) is 2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole is [3H]c1ccc2nc3nc(N4CCC(CCF)CC4)ccn3c2c1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole?
The InChIKey is DWSFKWXDRBTTCG-FUPOQFPWSA-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/i2T.
What are the key properties of 2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole?
2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole has a molecular weight of 300.37 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]-7-tritiopyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 140959426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).