(4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one

C23H25N3O — CID 7080505

IUPAC(4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
SMILESC=CCn1c([C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21
InChIInChI=1S/C23H25N3O/c1-5-10-25-20-9-7-6-8-19(20)24-23(25)18-13-21(27)26(14-18)22-16(3)11-15(2)12-17(22)4/h5-9,11-12,18H,1,10,13-14H2,2-4H3/t18-/m1/s1
InChIKeyYYDPKDRXELAFAU-GOSISDBHSA-N
MW359.47 g/mol
LogP4.67
Rot. Bonds4

About (4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one

(4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one (PubChem CID 7080505) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
PubChem CID7080505
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
SMILESC=CCn1c([C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21
InChIInChI=1S/C23H25N3O/c1-5-10-25-20-9-7-6-8-19(20)24-23(25)18-13-21(27)26(14-18)22-16(3)11-15(2)12-17(22)4/h5-9,11-12,18H,1,10,13-14H2,2-4H3/t18-/m1/s1
InChIKeyYYDPKDRXELAFAU-GOSISDBHSA-N
XLogP4.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.67
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

(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 6941306
4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 23607603
(4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080526
2-[2-[(3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 42387044
(4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7366365
(4R)-1-(3-methylsulfanylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080684
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
CID 17003117
1-cyclopentyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965206
(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27407290
(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136839
1-(1,3-benzodioxol-5-yl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964882
4-(1-benzylbenzimidazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 4754232

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one (CID 7080505) is (4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one is C=CCn1c([C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21.
What is the InChIKey of (4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one?
The InChIKey is YYDPKDRXELAFAU-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N3O/c1-5-10-25-20-9-7-6-8-19(20)24-23(25)18-13-21(27)26(14-18)22-16(3)11-15(2)12-17(22)4/h5-9,11-12,18H,1,10,13-14H2,2-4H3/t18-/m1/s1.
What are the key properties of (4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one?
(4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 7080505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).