1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one

C33H46FN3O — CID 18889124

IUPAC1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCCn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C33H46FN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-36-31-19-16-15-18-30(31)35-33(36)27-25-32(38)37(26-27)29-22-20-28(34)21-23-29/h15-16,18-23,27H,2-14,17,24-26H2,1H3
InChIKeyUDSONONNGFACRD-UHFFFAOYSA-N
MW519.75 g/mol
LogP9.18
Rot. Bonds17

About 1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one

1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 18889124) has the molecular formula C33H46FN3O and a molecular weight of 519.75 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID18889124
Molecular FormulaC33H46FN3O
Molecular Weight519.75 g/mol
Exact Mass519.36
IUPAC Name1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCCn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C33H46FN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-36-31-19-16-15-18-30(31)35-33(36)27-25-32(38)37(26-27)29-22-20-28(34)21-23-29/h15-16,18-23,27H,2-14,17,24-26H2,1H3
InChIKeyUDSONONNGFACRD-UHFFFAOYSA-N
XLogP9.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.75
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
(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
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-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003416
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 7080382
(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
1-[(4-fluorophenyl)methyl]-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005570

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one (CID 18889124) is 1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCCCCCCCCCCCCn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21.
What is the InChIKey of 1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is UDSONONNGFACRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46FN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-36-31-19-16-15-18-30(31)35-33(36)27-25-32(38)37(26-27)29-22-20-28(34)21-23-29/h15-16,18-23,27H,2-14,17,24-26H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 519.75 g/mol, XLogP of 9.18, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 18889124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).