(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one

C17H23N3O — CID 40634253

IUPAC(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)CCn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-12(2)8-9-20-15-7-5-4-6-14(15)18-17(20)13-10-16(21)19(3)11-13/h4-7,12-13H,8-11H2,1-3H3/t13-/m1/s1
InChIKeyDCFXALXSGKWYIH-CYBMUJFWSA-N
MW285.39 g/mol
LogP3.03
Rot. Bonds4

About (4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one

(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40634253) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40634253
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)CCn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21
InChIInChI=1S/C17H23N3O/c1-12(2)8-9-20-15-7-5-4-6-14(15)18-17(20)13-10-16(21)19(3)11-13/h4-7,12-13H,8-11H2,1-3H3/t13-/m1/s1
InChIKeyDCFXALXSGKWYIH-CYBMUJFWSA-N
XLogP3.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002382
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 4274079
1-(2-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889304
(4S)-1-(4-chlorophenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40698944
1-(2-ethylphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one;hydrochloride
CID 90485860
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3759471
(4R)-4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 7080692
(4R)-1-(4-ethoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7574568
(4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 40841199

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 40634253) is (4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is CC(C)CCn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21.
What is the InChIKey of (4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is DCFXALXSGKWYIH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)8-9-20-15-7-5-4-6-14(15)18-17(20)13-10-16(21)19(3)11-13/h4-7,12-13H,8-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40634253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).