(4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one

C18H23N3O — CID 7366365

IUPAC(4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESC=CCn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21
InChIInChI=1S/C18H23N3O/c1-5-10-20-15-9-7-6-8-14(15)19-17(20)13-11-16(22)21(12-13)18(2,3)4/h5-9,13H,1,10-12H2,2-4H3/t13-/m0/s1
InChIKeyOMZSGXAKVDKHPZ-ZDUSSCGKSA-N
MW297.40 g/mol
LogP3.34
Rot. Bonds3

About (4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one

(4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 7366365) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID7366365
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESC=CCn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21
InChIInChI=1S/C18H23N3O/c1-5-10-20-15-9-7-6-8-14(15)19-17(20)13-11-16(22)21(12-13)18(2,3)4/h5-9,13H,1,10-12H2,2-4H3/t13-/m0/s1
InChIKeyOMZSGXAKVDKHPZ-ZDUSSCGKSA-N
XLogP3.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.34
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-cyclopentyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965206
(4R)-4-(1-prop-2-enylbenzimidazol-2-yl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 7080505
(4S)-1-(2-fluorophenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080526
(4R)-1-(2,5-dimethylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 6941306
(4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813376
1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 6491143
1-tert-butyl-4-[1-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 50751827
(4R)-1-(3-methylsulfanylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080684
(4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 95116878
(4R)-1-tert-butyl-4-[1-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408178
(4R)-1-tert-butyl-4-[1-[(2S)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 96571177
1-(1,3-benzodioxol-5-yl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964882

Frequently Asked Questions

What is the IUPAC name of (4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one (CID 7366365) is (4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one is C=CCn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is OMZSGXAKVDKHPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O/c1-5-10-20-15-9-7-6-8-14(15)19-17(20)13-11-16(22)21(12-13)18(2,3)4/h5-9,13H,1,10-12H2,2-4H3/t13-/m0/s1.
What are the key properties of (4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one?
(4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 297.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 7366365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).