4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine

C25H22ClFN4O — CID 139456654

IUPAC4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine
SMILESFc1cc2nc3n(c2cc1-c1ccc(N2CCOCC2)nc1)[C@@H](c1ccccc1Cl)CC3
InChIInChI=1S/C25H22ClFN4O/c26-19-4-2-1-3-17(19)22-6-8-25-29-21-14-20(27)18(13-23(21)31(22)25)16-5-7-24(28-15-16)30-9-11-32-12-10-30/h1-5,7,13-15,22H,6,8-12H2/t22-/m1/s1
InChIKeyWBZUWAFNVFKSNE-JOCHJYFZSA-N
MW448.93 g/mol
LogP5.26
Rot. Bonds3

About 4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine

4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine (PubChem CID 139456654) has the molecular formula C25H22ClFN4O and a molecular weight of 448.93 g/mol. Its IUPAC name is 4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine
PubChem CID139456654
Molecular FormulaC25H22ClFN4O
Molecular Weight448.93 g/mol
Exact Mass448.15
IUPAC Name4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine
SMILESFc1cc2nc3n(c2cc1-c1ccc(N2CCOCC2)nc1)[C@@H](c1ccccc1Cl)CC3
InChIInChI=1S/C25H22ClFN4O/c26-19-4-2-1-3-17(19)22-6-8-25-29-21-14-20(27)18(13-23(21)31(22)25)16-5-7-24(28-15-16)30-9-11-32-12-10-30/h1-5,7,13-15,22H,6,8-12H2/t22-/m1/s1
InChIKeyWBZUWAFNVFKSNE-JOCHJYFZSA-N
XLogP5.26
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.93
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine with MolForge

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Related Compounds

(1S)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-pyridin-3-yl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 134374687
[1-[5-[1-[2-(difluoromethoxy)phenyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol
CID 139456336
6-fluoro-1-(2-methylphenyl)-7-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 123445846
4-[5-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,6-difluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]morpholine
CID 139450340
(1S)-7-bromo-6-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 118141743
difluoromethoxybenzene;6-fluoro-7-[6-(oxan-4-yl)-3-pyridinyl]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 144859161
(1S)-1-[2-(difluoromethoxy)phenyl]-6-fluoro-7-[6-(oxan-4-yl)-3-pyridinyl]-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine
CID 134374689
tert-butyl 4-[5-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 144859144
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 75131201
(4S)-7-(2-morpholin-4-ylpyrimidin-5-yl)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
CID 122621753
(3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol
CID 172626752

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine (CID 139456654) is 4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine is Fc1cc2nc3n(c2cc1-c1ccc(N2CCOCC2)nc1)[C@@H](c1ccccc1Cl)CC3.
What is the InChIKey of 4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine?
The InChIKey is WBZUWAFNVFKSNE-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H22ClFN4O/c26-19-4-2-1-3-17(19)22-6-8-25-29-21-14-20(27)18(13-23(21)31(22)25)16-5-7-24(28-15-16)30-9-11-32-12-10-30/h1-5,7,13-15,22H,6,8-12H2/t22-/m1/s1.
What are the key properties of 4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine?
4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine has a molecular weight of 448.93 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1R)-1-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 139456654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).