(4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one

C19H25N3O — CID 95116878

IUPAC(4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C[C@H](c2nc3ccccc3n2C[C@H](C)CC)CC1=O
InChIInChI=1S/C19H25N3O/c1-4-10-21-13-15(11-18(21)23)19-20-16-8-6-7-9-17(16)22(19)12-14(3)5-2/h4,6-9,14-15H,1,5,10-13H2,2-3H3/t14-,15-/m1/s1
InChIKeyRFXCKRVFOHSQNV-HUUCEWRRSA-N
MW311.43 g/mol
LogP3.58
Rot. Bonds6

About (4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one

(4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one (PubChem CID 95116878) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
PubChem CID95116878
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1C[C@H](c2nc3ccccc3n2C[C@H](C)CC)CC1=O
InChIInChI=1S/C19H25N3O/c1-4-10-21-13-15(11-18(21)23)19-20-16-8-6-7-9-17(16)22(19)12-14(3)5-2/h4,6-9,14-15H,1,5,10-13H2,2-3H3/t14-,15-/m1/s1
InChIKeyRFXCKRVFOHSQNV-HUUCEWRRSA-N
XLogP3.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.58
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)-4-[1-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 92902281
(4S)-4-[1-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 92902278
1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004666
(4S)-4-[1-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 27408145
(4R)-4-[1-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 27408154
1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004302
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3786381
4-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 3161597
(4S)-1-tert-butyl-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7366365
1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002382
4-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 3161594

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one (CID 95116878) is (4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one is C=CCN1C[C@H](c2nc3ccccc3n2C[C@H](C)CC)CC1=O.
What is the InChIKey of (4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is RFXCKRVFOHSQNV-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-10-21-13-15(11-18(21)23)19-20-16-8-6-7-9-17(16)22(19)12-14(3)5-2/h4,6-9,14-15H,1,5,10-13H2,2-3H3/t14-,15-/m1/s1.
What are the key properties of (4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one?
(4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 311.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 95116878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).