1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one

C28H37N3O — CID 129255816

IUPAC1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCCCN1CC(c2nc3ccccc3n2CCCCCc2c(C)cccc2C)CC1=O
InChIInChI=1S/C28H37N3O/c1-4-5-17-30-20-23(19-27(30)32)28-29-25-15-8-9-16-26(25)31(28)18-10-6-7-14-24-21(2)12-11-13-22(24)3/h8-9,11-13,15-16,23H,4-7,10,14,17-20H2,1-3H3
InChIKeyJBRUHTRHBHOMJN-UHFFFAOYSA-N
MW431.62 g/mol
LogP6.18
Rot. Bonds10

About 1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one

1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 129255816) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is 1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID129255816
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC Name1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCCCN1CC(c2nc3ccccc3n2CCCCCc2c(C)cccc2C)CC1=O
InChIInChI=1S/C28H37N3O/c1-4-5-17-30-20-23(19-27(30)32)28-29-25-15-8-9-16-26(25)31(28)18-10-6-7-14-24-21(2)12-11-13-22(24)3/h8-9,11-13,15-16,23H,4-7,10,14,17-20H2,1-3H3
InChIKeyJBRUHTRHBHOMJN-UHFFFAOYSA-N
XLogP6.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
(4R)-1-butyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 95055110
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
(4R)-1-butyl-4-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40773778
(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27407290
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
1-benzyl-4-(1-heptylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005433
1-butyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16615154
1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 43837404
(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 39115865

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 129255816) is 1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one is CCCCN1CC(c2nc3ccccc3n2CCCCCc2c(C)cccc2C)CC1=O.
What is the InChIKey of 1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is JBRUHTRHBHOMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O/c1-4-5-17-30-20-23(19-27(30)32)28-29-25-15-8-9-16-26(25)31(28)18-10-6-7-14-24-21(2)12-11-13-22(24)3/h8-9,11-13,15-16,23H,4-7,10,14,17-20H2,1-3H3.
What are the key properties of 1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 431.62 g/mol, XLogP of 6.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 129255816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).