(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one

C22H24FN3O — CID 40698975

IUPAC(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H24FN3O/c1-2-3-6-13-25-20-8-5-4-7-19(20)24-22(25)16-14-21(27)26(15-16)18-11-9-17(23)10-12-18/h4-5,7-12,16H,2-3,6,13-15H2,1H3/t16-/m0/s1
InChIKeyRGMZWUXXYQCGQJ-INIZCTEOSA-N
MW365.45 g/mol
LogP4.89
Rot. Bonds6

About (4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one

(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 40698975) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is (4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID40698975
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H24FN3O/c1-2-3-6-13-25-20-8-5-4-7-19(20)24-22(25)16-14-21(27)26(15-16)18-11-9-17(23)10-12-18/h4-5,7-12,16H,2-3,6,13-15H2,1H3/t16-/m0/s1
InChIKeyRGMZWUXXYQCGQJ-INIZCTEOSA-N
XLogP4.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.89
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-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889124
1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3841215
(4S)-1-(4-methylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 94371555
1-(3-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242434
1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889038
1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889044
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 7080382
1-(3,5-dimethylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17004183
(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080478
(4S)-1-(4-fluorophenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814113
4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003416
(4R)-4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814109

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one (CID 40698975) is (4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is RGMZWUXXYQCGQJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-2-3-6-13-25-20-8-5-4-7-19(20)24-22(25)16-14-21(27)26(15-16)18-11-9-17(23)10-12-18/h4-5,7-12,16H,2-3,6,13-15H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 365.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 40698975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).