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

C18H25N3O — CID 17002382

IUPAC1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCN1CC(c2nc3ccccc3n2CCC(C)C)CC1=O
InChIInChI=1S/C18H25N3O/c1-4-20-12-14(11-17(20)22)18-19-15-7-5-6-8-16(15)21(18)10-9-13(2)3/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyODRUWJPRVZXFRF-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.42
Rot. Bonds5

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

1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17002382) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17002382
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCN1CC(c2nc3ccccc3n2CCC(C)C)CC1=O
InChIInChI=1S/C18H25N3O/c1-4-20-12-14(11-17(20)22)18-19-15-7-5-6-8-16(15)21(18)10-9-13(2)3/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyODRUWJPRVZXFRF-UHFFFAOYSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40634253
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002489
(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 40841216
1-(2-ethylphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one;hydrochloride
CID 90485860
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002423
4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 4274079
(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 25345296
4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002398

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17002382) is 1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is CCN1CC(c2nc3ccccc3n2CCC(C)C)CC1=O.
What is the InChIKey of 1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is ODRUWJPRVZXFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-20-12-14(11-17(20)22)18-19-15-7-5-6-8-16(15)21(18)10-9-13(2)3/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of 1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 299.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17002382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).