8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine

C31H23N3 — CID 169322130

IUPAC8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N3CCCn4ccnc43)cc21
InChIInChI=1S/C31H23N3/c1-4-11-26-22(8-1)23-9-2-5-12-27(23)31(26)28-13-6-3-10-24(28)25-15-14-21(20-29(25)31)34-18-7-17-33-19-16-32-30(33)34/h1-6,8-16,19-20H,7,17-18H2
InChIKeyQOTXMBGHRYSWJF-UHFFFAOYSA-N
MW437.55 g/mol
LogP6.77
Rot. Bonds1

About 8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine

8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine (PubChem CID 169322130) has the molecular formula C31H23N3 and a molecular weight of 437.55 g/mol. Its IUPAC name is 8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine
PubChem CID169322130
Molecular FormulaC31H23N3
Molecular Weight437.55 g/mol
Exact Mass437.19
IUPAC Name8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N3CCCn4ccnc43)cc21
InChIInChI=1S/C31H23N3/c1-4-11-26-22(8-1)23-9-2-5-12-27(23)31(26)28-13-6-3-10-24(28)25-15-14-21(20-29(25)31)34-18-7-17-33-19-16-32-30(33)34/h1-6,8-16,19-20H,7,17-18H2
InChIKeyQOTXMBGHRYSWJF-UHFFFAOYSA-N
XLogP6.77
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine?
The IUPAC name of 8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine (CID 169322130) is 8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine?
The canonical SMILES for 8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N3CCCn4ccnc43)cc21.
What is the InChIKey of 8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine?
The InChIKey is QOTXMBGHRYSWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3/c1-4-11-26-22(8-1)23-9-2-5-12-27(23)31(26)28-13-6-3-10-24(28)25-15-14-21(20-29(25)31)34-18-7-17-33-19-16-32-30(33)34/h1-6,8-16,19-20H,7,17-18H2.
What are the key properties of 8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine?
8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine has a molecular weight of 437.55 g/mol, XLogP of 6.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9'-spirobi[fluorene]-2-yl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 169322130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).