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

C22H23N3O2 — CID 40512734

IUPAC(4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESC=C(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-15(2)13-25-18-9-5-4-8-17(18)23-22(25)16-12-21(26)24(14-16)19-10-6-7-11-20(19)27-3/h4-11,16H,1,12-14H2,2-3H3/t16-/m1/s1
InChIKeyQEJNAZOTBPCVSU-MRXNPFEDSA-N
MW361.45 g/mol
LogP4.14
Rot. Bonds5

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

(4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40512734) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40512734
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESC=C(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-15(2)13-25-18-9-5-4-8-17(18)23-22(25)16-12-21(26)24(14-16)19-10-6-7-11-20(19)27-3/h4-11,16H,1,12-14H2,2-3H3/t16-/m1/s1
InChIKeyQEJNAZOTBPCVSU-MRXNPFEDSA-N
XLogP4.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
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

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(4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 962234
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(4S)-1-(2-methoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812273
(4S)-1-(2-methoxyphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 25301041
(4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 40512734) is (4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one is C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21.
What is the InChIKey of (4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is QEJNAZOTBPCVSU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)13-25-18-9-5-4-8-17(18)23-22(25)16-12-21(26)24(14-16)19-10-6-7-11-20(19)27-3/h4-11,16H,1,12-14H2,2-3H3/t16-/m1/s1.
What are the key properties of (4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 361.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40512734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).