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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Related Compounds

2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethane-1,1,1-triol
CID 166811396
[1,1-dideuterio-2-(1-pyrimido[1,2-a]benzimidazol-2-ylpiperidin-4-yl)ethyl] benzoate
CID 155272482
2-[4-(2-fluoroethyl)piperidin-1-yl]-7-tritiopyrimido[1,2-a]benzimidazole
CID 140959426
2-[4-[2-(1,1,2-trideuterio-2-(18F)fluoropropoxy)ethyl]piperidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 122520096
2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177185487
1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol
CID 58362653
2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole
CID 149013956
7-iodo-2-[4-(3,3,3-trifluoropropyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177185512
2-[4-(2-fluoroethyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
CID 177185485
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-[4-(3-fluoropropyl)piperidin-1-yl]-8-methoxypyrimido[1,2-a]benzimidazole
CID 177185504
1-(4,4,4-trifluorobutyl)-9H-fluorene
CID 157441303

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).