4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

C29H30FN3O2 — CID 18889135

IUPAC4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCC(C)(C)c1ccccc1OCCn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C29H30FN3O2/c1-29(2,3)23-8-4-7-11-26(23)35-17-16-32-25-10-6-5-9-24(25)31-28(32)20-18-27(34)33(19-20)22-14-12-21(30)13-15-22/h4-15,20H,16-19H2,1-3H3
InChIKeyCFSCOVVUONQKFR-UHFFFAOYSA-N
MW471.58 g/mol
LogP6.07
Rot. Bonds6

About 4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 18889135) has the molecular formula C29H30FN3O2 and a molecular weight of 471.58 g/mol. Its IUPAC name is 4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID18889135
Molecular FormulaC29H30FN3O2
Molecular Weight471.58 g/mol
Exact Mass471.23
IUPAC Name4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCC(C)(C)c1ccccc1OCCn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C29H30FN3O2/c1-29(2,3)23-8-4-7-11-26(23)35-17-16-32-25-10-6-5-9-24(25)31-28(32)20-18-27(34)33(19-20)22-14-12-21(30)13-15-22/h4-15,20H,16-19H2,1-3H3
InChIKeyCFSCOVVUONQKFR-UHFFFAOYSA-N
XLogP6.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 3160034
4-[1-[3-(2-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 18889075
(4R)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814165
(4S)-1-(4-fluorophenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814113
1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889144
(4R)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7538411
(4S)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7538413
(4S)-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814857
(4R)-4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814109
4-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17004627
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 19242521

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (CID 18889135) is 4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is CC(C)(C)c1ccccc1OCCn1c(C2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21.
What is the InChIKey of 4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is CFSCOVVUONQKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O2/c1-29(2,3)23-8-4-7-11-26(23)35-17-16-32-25-10-6-5-9-24(25)31-28(32)20-18-27(34)33(19-20)22-14-12-21(30)13-15-22/h4-15,20H,16-19H2,1-3H3.
What are the key properties of 4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 471.58 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 18889135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).