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

C21H21N3O — CID 962234

IUPAC(4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
SMILESC=C(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C21H21N3O/c1-15(2)13-24-19-11-7-6-10-18(19)22-21(24)16-12-20(25)23(14-16)17-8-4-3-5-9-17/h3-11,16H,1,12-14H2,2H3/t16-/m1/s1
InChIKeyNDSYDIWHFPPIDC-MRXNPFEDSA-N
MW331.42 g/mol
LogP4.13
Rot. Bonds4

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

(4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one (PubChem CID 962234) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
PubChem CID962234
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
SMILESC=C(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C21H21N3O/c1-15(2)13-24-19-11-7-6-10-18(19)22-21(24)16-12-20(25)23(14-16)17-8-4-3-5-9-17/h3-11,16H,1,12-14H2,2H3/t16-/m1/s1
InChIKeyNDSYDIWHFPPIDC-MRXNPFEDSA-N
XLogP4.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754427
1-(3-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754531
(4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40512734
1-(4-bromophenyl)-4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004665
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 4630375
N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide
CID 17002613
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510
2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 42387139
N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841159
2-[2-[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 17004782
N-methyl-2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841158
ethyl 2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 40773738

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one (CID 962234) is (4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one is C=C(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21.
What is the InChIKey of (4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is NDSYDIWHFPPIDC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15(2)13-24-19-11-7-6-10-18(19)22-21(24)16-12-20(25)23(14-16)17-8-4-3-5-9-17/h3-11,16H,1,12-14H2,2H3/t16-/m1/s1.
What are the key properties of (4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one?
(4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 962234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).