4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

C29H39N3O2 — CID 19242754

IUPAC4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCCCCCCCCCn1c(C2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21
InChIInChI=1S/C29H39N3O2/c1-3-4-5-6-7-8-9-12-19-32-27-14-11-10-13-26(27)30-29(32)24-20-28(33)31(22-24)21-23-15-17-25(34-2)18-16-23/h10-11,13-18,24H,3-9,12,19-22H2,1-2H3
InChIKeyUTFLJPBHEWGTSZ-UHFFFAOYSA-N
MW461.65 g/mol
LogP6.70
Rot. Bonds13

About 4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one

4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 19242754) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is 4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID19242754
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC Name4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCCCCCCCCCn1c(C2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21
InChIInChI=1S/C29H39N3O2/c1-3-4-5-6-7-8-9-12-19-32-27-14-11-10-13-26(27)30-29(32)24-20-28(33)31(22-24)21-23-15-17-25(34-2)18-16-23/h10-11,13-18,24H,3-9,12,19-22H2,1-2H3
InChIKeyUTFLJPBHEWGTSZ-UHFFFAOYSA-N
XLogP6.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 56.70
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-benzyl-4-(1-heptylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005433
4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242855
1-[(4-fluorophenyl)methyl]-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005570
1-[(4-methoxyphenyl)methyl]-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242808
(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346317
(4R)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346319
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242774
N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
CID 19242794
1-[(4-methoxyphenyl)methyl]-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005532
(4R)-1-benzyl-4-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813436

Frequently Asked Questions

What is the IUPAC name of 4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one (CID 19242754) is 4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is CCCCCCCCCCn1c(C2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21.
What is the InChIKey of 4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is UTFLJPBHEWGTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-3-4-5-6-7-8-9-12-19-32-27-14-11-10-13-26(27)30-29(32)24-20-28(33)31(22-24)21-23-15-17-25(34-2)18-16-23/h10-11,13-18,24H,3-9,12,19-22H2,1-2H3.
What are the key properties of 4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one?
4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 461.65 g/mol, XLogP of 6.70, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 19242754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).