1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one

C32H45N3O2 — CID 4754533

IUPAC1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCn1c(C2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21
InChIInChI=1S/C32H45N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-23-34-28-20-15-14-19-27(28)33-32(34)26-24-31(36)35(25-26)29-21-16-17-22-30(29)37-2/h14-17,19-22,26H,3-13,18,23-25H2,1-2H3
InChIKeyWSYWSOXZNDNJHO-UHFFFAOYSA-N
MW503.73 g/mol
LogP8.27
Rot. Bonds16

About 1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one

1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 4754533) has the molecular formula C32H45N3O2 and a molecular weight of 503.73 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID4754533
Molecular FormulaC32H45N3O2
Molecular Weight503.73 g/mol
Exact Mass503.35
IUPAC Name1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCn1c(C2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21
InChIInChI=1S/C32H45N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-23-34-28-20-15-14-19-27(28)33-32(34)26-24-31(36)35(25-26)29-21-16-17-22-30(29)37-2/h14-17,19-22,26H,3-13,18,23-25H2,1-2H3
InChIKeyWSYWSOXZNDNJHO-UHFFFAOYSA-N
XLogP8.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.73
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 17003811
(4S)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698811
(4R)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698809
1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003806
(4S)-1-(2-methoxyphenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812287
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 40698817
(4S)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40841120
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 17003706
(4S)-1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7010928
4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003416
1-(2-bromophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003275
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 4038407

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one (CID 4754533) is 1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCCCCCCCCCCn1c(C2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is WSYWSOXZNDNJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-23-34-28-20-15-14-19-27(28)33-32(34)26-24-31(36)35(25-26)29-21-16-17-22-30(29)37-2/h14-17,19-22,26H,3-13,18,23-25H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 503.73 g/mol, XLogP of 8.27, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 4754533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).