(4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one

C23H25N3O2 — CID 40823655

IUPAC(4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESC=C(C)Cn1c([C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21
InChIInChI=1S/C23H25N3O2/c1-16(2)13-26-21-7-5-4-6-20(21)24-23(26)18-12-22(27)25(15-18)14-17-8-10-19(28-3)11-9-17/h4-11,18H,1,12-15H2,2-3H3/t18-/m0/s1
InChIKeyMDBBCCGLIJCBCD-SFHVURJKSA-N
MW375.47 g/mol
LogP4.14
Rot. Bonds6

About (4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one

(4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40823655) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40823655
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESC=C(C)Cn1c([C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21
InChIInChI=1S/C23H25N3O2/c1-16(2)13-26-21-7-5-4-6-20(21)24-23(26)18-12-22(27)25(15-18)14-17-8-10-19(28-3)11-9-17/h4-11,18H,1,12-15H2,2-3H3/t18-/m0/s1
InChIKeyMDBBCCGLIJCBCD-SFHVURJKSA-N
XLogP4.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242774
(4S)-1-[(4-methoxyphenyl)methyl]-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40823659
2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 19242790
1-[(4-methoxyphenyl)methyl]-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005532
4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002259
4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242855
4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242754
N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
CID 19242794
1-[(4-methoxyphenyl)methyl]-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242808
1-(3-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754531
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005558
(4S)-1-(4-methoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792530

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 40823655) is (4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one is C=C(C)Cn1c([C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is MDBBCCGLIJCBCD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)13-26-21-7-5-4-6-20(21)24-23(26)18-12-22(27)25(15-18)14-17-8-10-19(28-3)11-9-17/h4-11,18H,1,12-15H2,2-3H3/t18-/m0/s1.
What are the key properties of (4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(4-methoxyphenyl)methyl]-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40823655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).