1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one

C23H25N3O — CID 151429243

IUPAC1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one
SMILESCCn1c(/C=C/c2ccc(CN3CCC(C)C3=O)cc2)nc2ccccc21
InChIInChI=1S/C23H25N3O/c1-3-26-21-7-5-4-6-20(21)24-22(26)13-12-18-8-10-19(11-9-18)16-25-15-14-17(2)23(25)27/h4-13,17H,3,14-16H2,1-2H3/b13-12+
InChIKeyPCEFGKXWAMMUPZ-OUKQBFOZSA-N
MW359.47 g/mol
LogP4.59
Rot. Bonds5

About 1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one

1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one (PubChem CID 151429243) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one
PubChem CID151429243
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one
SMILESCCn1c(/C=C/c2ccc(CN3CCC(C)C3=O)cc2)nc2ccccc21
InChIInChI=1S/C23H25N3O/c1-3-26-21-7-5-4-6-20(21)24-22(26)13-12-18-8-10-19(11-9-18)16-25-15-14-17(2)23(25)27/h4-13,17H,3,14-16H2,1-2H3/b13-12+
InChIKeyPCEFGKXWAMMUPZ-OUKQBFOZSA-N
XLogP4.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
1-ethyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzimidazole
CID 6489920
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999559
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 71833929
2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile
CID 82144945
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879525
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 40698749

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one (CID 151429243) is 1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one is CCn1c(/C=C/c2ccc(CN3CCC(C)C3=O)cc2)nc2ccccc21.
What is the InChIKey of 1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one?
The InChIKey is PCEFGKXWAMMUPZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-26-21-7-5-4-6-20(21)24-22(26)13-12-18-8-10-19(11-9-18)16-25-15-14-17(2)23(25)27/h4-13,17H,3,14-16H2,1-2H3/b13-12+.
What are the key properties of 1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one?
1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]phenyl]methyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 151429243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).