2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline

C29H26FN5O2 — CID 59641307

IUPAC2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline
SMILESCCCOc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc4ccccc4n2)CC3)n1
InChIInChI=1S/C29H26FN5O2/c1-2-17-36-29-31-16-15-24(33-29)28-27(20-7-10-21(30)11-8-20)34-25-13-12-22(35(25)28)18-37-26-14-9-19-5-3-4-6-23(19)32-26/h3-11,14-16,22H,2,12-13,17-18H2,1H3
InChIKeyMDRVHFKRGUWQDX-UHFFFAOYSA-N
MW495.56 g/mol
LogP6.05
Rot. Bonds8

About 2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline

2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline (PubChem CID 59641307) has the molecular formula C29H26FN5O2 and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline
PubChem CID59641307
Molecular FormulaC29H26FN5O2
Molecular Weight495.56 g/mol
Exact Mass495.21
IUPAC Name2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline
SMILESCCCOc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc4ccccc4n2)CC3)n1
InChIInChI=1S/C29H26FN5O2/c1-2-17-36-29-31-16-15-24(33-29)28-27(20-7-10-21(30)11-8-20)34-25-13-12-22(35(25)28)18-37-26-14-9-19-5-3-4-6-23(19)32-26/h3-11,14-16,22H,2,12-13,17-18H2,1H3
InChIKeyMDRVHFKRGUWQDX-UHFFFAOYSA-N
XLogP6.05
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.56
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?
The IUPAC name of 2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline (CID 59641307) is 2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline is CCCOc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc4ccccc4n2)CC3)n1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?
The InChIKey is MDRVHFKRGUWQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O2/c1-2-17-36-29-31-16-15-24(33-29)28-27(20-7-10-21(30)11-8-20)34-25-13-12-22(35(25)28)18-37-26-14-9-19-5-3-4-6-23(19)32-26/h3-11,14-16,22H,2,12-13,17-18H2,1H3.
What are the key properties of 2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?
2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline has a molecular weight of 495.56 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-3-(2-propoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline is sourced from PubChem (CID 59641307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).