6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one

C23H18ClFN6O2 — CID 154732883

IUPAC6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)ncc(Cl)n34)C=C2N1
InChIInChI=1S/C23H18ClFN6O2/c24-18-12-26-21(30-7-9-33-10-8-30)22-29-19(13-1-4-15(25)5-2-13)20(31(18)22)14-3-6-16-17(11-14)28-23(32)27-16/h1-6,11-12,14H,7-10H2,(H,28,32)
InChIKeyKIDXNVZVWOUZNG-UHFFFAOYSA-N
MW464.89 g/mol
LogP3.73
Rot. Bonds3

About 6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one

6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one (PubChem CID 154732883) has the molecular formula C23H18ClFN6O2 and a molecular weight of 464.89 g/mol. Its IUPAC name is 6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one
PubChem CID154732883
Molecular FormulaC23H18ClFN6O2
Molecular Weight464.89 g/mol
Exact Mass464.12
IUPAC Name6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)ncc(Cl)n34)C=C2N1
InChIInChI=1S/C23H18ClFN6O2/c24-18-12-26-21(30-7-9-33-10-8-30)22-29-19(13-1-4-15(25)5-2-13)20(31(18)22)14-3-6-16-17(11-14)28-23(32)27-16/h1-6,11-12,14H,7-10H2,(H,28,32)
InChIKeyKIDXNVZVWOUZNG-UHFFFAOYSA-N
XLogP3.73
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.89
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Gsk-3494245
CID 126571915
Imidazopyridine 12c
CID 5329349
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
SB-210313
CID 9885504
2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
2-{[3-(2-Aminopyrimidin-4-yl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-7-ylmethyl]methylamino}ethanol
CID 24887880
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol
CID 44431983
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}formamide
CID 44444870
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}carbamic acid methyl ester
CID 44444872

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one (CID 154732883) is 6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one is O=C1N=C2C=CC(c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)ncc(Cl)n34)C=C2N1.
What is the InChIKey of 6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one?
The InChIKey is KIDXNVZVWOUZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN6O2/c24-18-12-26-21(30-7-9-33-10-8-30)22-29-19(13-1-4-15(25)5-2-13)20(31(18)22)14-3-6-16-17(11-14)28-23(32)27-16/h1-6,11-12,14H,7-10H2,(H,28,32).
What are the key properties of 6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one?
6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one has a molecular weight of 464.89 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 154732883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).