2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde

C22H21FN4O2 — CID 134824326

IUPAC2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nc2n(CCN3CCOCC3)c3ccccc3n12
InChIInChI=1S/C22H21FN4O2/c23-17-7-5-16(6-8-17)21-20(15-28)27-19-4-2-1-3-18(19)26(22(27)24-21)10-9-25-11-13-29-14-12-25/h1-8,15H,9-14H2
InChIKeySSHUFPMZSWTHGK-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde

2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde (PubChem CID 134824326) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde
PubChem CID134824326
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nc2n(CCN3CCOCC3)c3ccccc3n12
InChIInChI=1S/C22H21FN4O2/c23-17-7-5-16(6-8-17)21-20(15-28)27-19-4-2-1-3-18(19)26(22(27)24-21)10-9-25-11-13-29-14-12-25/h1-8,15H,9-14H2
InChIKeySSHUFPMZSWTHGK-UHFFFAOYSA-N
XLogP3.24
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
CID 3703601
(4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride
CID 19040811
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one
CID 4901820
4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride
CID 56946930
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine
CID 19040854
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
4-[2-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]ethyl]morpholine;hydrate;hydrochloride
CID 118289521
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
4-[2-[3-(4-fluorophenyl)-5-(2-phenylethylsulfanyl)-1,2,4-triazol-4-yl]ethyl]morpholine
CID 60601853
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;hydrochloride
CID 146051190

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde (CID 134824326) is 2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde is O=Cc1c(-c2ccc(F)cc2)nc2n(CCN3CCOCC3)c3ccccc3n12.
What is the InChIKey of 2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde?
The InChIKey is SSHUFPMZSWTHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-17-7-5-16(6-8-17)21-20(15-28)27-19-4-2-1-3-18(19)26(22(27)24-21)10-9-25-11-13-29-14-12-25/h1-8,15H,9-14H2.
What are the key properties of 2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde?
2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde has a molecular weight of 392.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde is sourced from PubChem (CID 134824326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).