2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole

C30H28N4 — CID 177311837

IUPAC2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole
SMILESc1ccc2c(c1)Cc1c(CCC3CCN(c4ccn5c(n4)nc4ccccc45)CC3)cccc1-2
InChIInChI=1S/C30H28N4/c1-2-8-24-23(6-1)20-26-22(7-5-9-25(24)26)13-12-21-14-17-33(18-15-21)29-16-19-34-28-11-4-3-10-27(28)31-30(34)32-29/h1-11,16,19,21H,12-15,17-18,20H2
InChIKeyGIJJRSRALDXRCE-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.30
Rot. Bonds4

About 2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole

2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole (PubChem CID 177311837) has the molecular formula C30H28N4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole
PubChem CID177311837
Molecular FormulaC30H28N4
Molecular Weight444.58 g/mol
Exact Mass444.23
IUPAC Name2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole
SMILESc1ccc2c(c1)Cc1c(CCC3CCN(c4ccn5c(n4)nc4ccccc45)CC3)cccc1-2
InChIInChI=1S/C30H28N4/c1-2-8-24-23(6-1)20-26-22(7-5-9-25(24)26)13-12-21-14-17-33(18-15-21)29-16-19-34-28-11-4-3-10-27(28)31-30(34)32-29/h1-11,16,19,21H,12-15,17-18,20H2
InChIKeyGIJJRSRALDXRCE-UHFFFAOYSA-N
XLogP6.30
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole (CID 177311837) is 2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole is c1ccc2c(c1)Cc1c(CCC3CCN(c4ccn5c(n4)nc4ccccc45)CC3)cccc1-2.
What is the InChIKey of 2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole?
The InChIKey is GIJJRSRALDXRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4/c1-2-8-24-23(6-1)20-26-22(7-5-9-25(24)26)13-12-21-14-17-33(18-15-21)29-16-19-34-28-11-4-3-10-27(28)31-30(34)32-29/h1-11,16,19,21H,12-15,17-18,20H2.
What are the key properties of 2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole?
2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole has a molecular weight of 444.58 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(9H-fluoren-1-yl)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 177311837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).