(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one

C22H23N3O — CID 6941306

IUPAC(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESC=CCn1c([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21
InChIInChI=1S/C22H23N3O/c1-4-11-24-19-8-6-5-7-18(19)23-22(24)17-13-21(26)25(14-17)20-12-15(2)9-10-16(20)3/h4-10,12,17H,1,11,13-14H2,2-3H3/t17-/m1/s1
InChIKeyABPYFAMDHXTVCZ-QGZVFWFLSA-N
MW345.45 g/mol
LogP4.36
Rot. Bonds4

About (4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one

(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 6941306) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID6941306
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESC=CCn1c([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21
InChIInChI=1S/C22H23N3O/c1-4-11-24-19-8-6-5-7-18(19)23-22(24)17-13-21(26)25(14-17)20-12-15(2)9-10-16(20)3/h4-10,12,17H,1,11,13-14H2,2-3H3/t17-/m1/s1
InChIKeyABPYFAMDHXTVCZ-QGZVFWFLSA-N
XLogP4.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.36
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-(2,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4753906
2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 17003088
(4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 7080505
(4S)-1-(2,5-dimethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 51430290
1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003107
(4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080526
(4R)-1-(2,5-dimethylphenyl)-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812682
2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 17003086
4-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2,5-dimethylphenyl)pyrrolidin-2-one
CID 17003014
4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4293513
1-(2,4-dimethylphenyl)-4-[1-(3-phenylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 2959864
(4R)-1-(5-chloro-2-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136807

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one (CID 6941306) is (4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one is C=CCn1c([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21.
What is the InChIKey of (4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is ABPYFAMDHXTVCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N3O/c1-4-11-24-19-8-6-5-7-18(19)23-22(24)17-13-21(26)25(14-17)20-12-15(2)9-10-16(20)3/h4-10,12,17H,1,11,13-14H2,2-3H3/t17-/m1/s1.
What are the key properties of (4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 345.45 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 6941306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).