2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole

C19H23FN4O — CID 177185504

IUPAC2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)nc1nc(N3CCC(CCCF)CC3)ccn12
InChIInChI=1S/C19H23FN4O/c1-25-15-4-5-17-16(13-15)21-19-22-18(8-12-24(17)19)23-10-6-14(7-11-23)3-2-9-20/h4-5,8,12-14H,2-3,6-7,9-11H2,1H3
InChIKeyVAYNMXLMKFZBAQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.86
Rot. Bonds5

About 2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole

2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole (PubChem CID 177185504) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
PubChem CID177185504
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)nc1nc(N3CCC(CCCF)CC3)ccn12
InChIInChI=1S/C19H23FN4O/c1-25-15-4-5-17-16(13-15)21-19-22-18(8-12-24(17)19)23-10-6-14(7-11-23)3-2-9-20/h4-5,8,12-14H,2-3,6-7,9-11H2,1H3
InChIKeyVAYNMXLMKFZBAQ-UHFFFAOYSA-N
XLogP3.86
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole (CID 177185504) is 2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole is COc1ccc2c(c1)nc1nc(N3CCC(CCCF)CC3)ccn12.
What is the InChIKey of 2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole?
The InChIKey is VAYNMXLMKFZBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-25-15-4-5-17-16(13-15)21-19-22-18(8-12-24(17)19)23-10-6-14(7-11-23)3-2-9-20/h4-5,8,12-14H,2-3,6-7,9-11H2,1H3.
What are the key properties of 2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole?
2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole has a molecular weight of 342.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 177185504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).