1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one

C27H35N3O2 — CID 5188387

IUPAC1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCn1c(C2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21
InChIInChI=1S/C27H35N3O2/c1-3-4-5-6-7-8-11-17-29-25-16-10-9-15-24(25)28-27(29)21-18-26(31)30(20-21)22-13-12-14-23(19-22)32-2/h9-10,12-16,19,21H,3-8,11,17-18,20H2,1-2H3
InChIKeyQUYKQUBUXJYEIT-UHFFFAOYSA-N
MW433.60 g/mol
LogP6.32
Rot. Bonds11

About 1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one

1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 5188387) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID5188387
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCn1c(C2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21
InChIInChI=1S/C27H35N3O2/c1-3-4-5-6-7-8-11-17-29-25-16-10-9-15-24(25)28-27(29)21-18-26(31)30(20-21)22-13-12-14-23(19-22)32-2/h9-10,12-16,19,21H,3-8,11,17-18,20H2,1-2H3
InChIKeyQUYKQUBUXJYEIT-UHFFFAOYSA-N
XLogP6.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 56.32
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

1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003932
1-(3-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242434
4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 17003811
1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3759471
1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003806
1-(3,5-dimethylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17004183
(4S)-1-(4-methylphenyl)-4-(1-octylbenzimidazol-2-yl)pyrrolidin-2-one
CID 94371555
1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754533
1-(3,5-dimethylphenyl)-4-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004261
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-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889124

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one (CID 5188387) is 1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCCCCCn1c(C2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is QUYKQUBUXJYEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-3-4-5-6-7-8-11-17-29-25-16-10-9-15-24(25)28-27(29)21-18-26(31)30(20-21)22-13-12-14-23(19-22)32-2/h9-10,12-16,19,21H,3-8,11,17-18,20H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 433.60 g/mol, XLogP of 6.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 5188387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).