1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one

C26H33N3O3 — CID 6491143

IUPAC1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1OCCCCn1c(C2CC(=O)N(C(C)(C)C)C2)nc2ccccc21
InChIInChI=1S/C26H33N3O3/c1-26(2,3)29-18-19(17-24(29)30)25-27-20-11-5-6-12-21(20)28(25)15-9-10-16-32-23-14-8-7-13-22(23)31-4/h5-8,11-14,19H,9-10,15-18H2,1-4H3
InChIKeyYUFDPVUOASAKRI-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.02
Rot. Bonds8

About 1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one

1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 6491143) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID6491143
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1OCCCCn1c(C2CC(=O)N(C(C)(C)C)C2)nc2ccccc21
InChIInChI=1S/C26H33N3O3/c1-26(2,3)29-18-19(17-24(29)30)25-27-20-11-5-6-12-21(20)28(25)15-9-10-16-32-23-14-8-7-13-22(23)31-4/h5-8,11-14,19H,9-10,15-18H2,1-4H3
InChIKeyYUFDPVUOASAKRI-UHFFFAOYSA-N
XLogP5.02
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813376
4-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002299
(4R)-1-(3-chlorophenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813538
(4S)-1-(4-fluorophenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814113
1-(2,5-dimethoxyphenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003877
1-(4-ethylphenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004899
(4S)-1-(3-chlorophenyl)-4-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813586
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 17003706
1-(4-ethylphenyl)-4-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753786
(4S)-1-(2-methoxyphenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812287
4-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002328
(4R)-1-benzyl-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814660

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 6491143) is 1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one is COc1ccccc1OCCCCn1c(C2CC(=O)N(C(C)(C)C)C2)nc2ccccc21.
What is the InChIKey of 1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is YUFDPVUOASAKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-26(2,3)29-18-19(17-24(29)30)25-27-20-11-5-6-12-21(20)28(25)15-9-10-16-32-23-14-8-7-13-22(23)31-4/h5-8,11-14,19H,9-10,15-18H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 435.57 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 6491143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).