1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one

C19H25N3O — CID 16965049

IUPAC1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCn1c(C2CC(=O)N(C3CC3)C2)nc2ccccc21
InChIInChI=1S/C19H25N3O/c1-2-3-6-11-21-17-8-5-4-7-16(17)20-19(21)14-12-18(23)22(13-14)15-9-10-15/h4-5,7-8,14-15H,2-3,6,9-13H2,1H3
InChIKeyOPXHHXNUAYVBKJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.70
Rot. Bonds6

About 1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one

1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 16965049) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID16965049
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCn1c(C2CC(=O)N(C3CC3)C2)nc2ccccc21
InChIInChI=1S/C19H25N3O/c1-2-3-6-11-21-17-8-5-4-7-16(17)20-19(21)14-12-18(23)22(13-14)15-9-10-15/h4-5,7-8,14-15H,2-3,6,9-13H2,1H3
InChIKeyOPXHHXNUAYVBKJ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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-cyclopentyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965220
1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005289
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
1-cyclopropyl-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16965168
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27407290
1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3841215
1-(3,5-dimethylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17004183
4-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
CID 16965198
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one (CID 16965049) is 1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCn1c(C2CC(=O)N(C3CC3)C2)nc2ccccc21.
What is the InChIKey of 1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is OPXHHXNUAYVBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-3-6-11-21-17-8-5-4-7-16(17)20-19(21)14-12-18(23)22(13-14)15-9-10-15/h4-5,7-8,14-15H,2-3,6,9-13H2,1H3.
What are the key properties of 1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 311.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 16965049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).