(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

C22H24FN3O — CID 25346317

IUPAC(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESCCCCn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H24FN3O/c1-2-3-12-26-20-7-5-4-6-19(20)24-22(26)17-13-21(27)25(15-17)14-16-8-10-18(23)11-9-16/h4-11,17H,2-3,12-15H2,1H3/t17-/m0/s1
InChIKeyKIDLYXSPDAJKLH-KRWDZBQOSA-N
MW365.45 g/mol
LogP4.49
Rot. Bonds6

About (4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 25346317) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is (4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID25346317
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESCCCCn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H24FN3O/c1-2-3-12-26-20-7-5-4-6-19(20)24-22(26)17-13-21(27)25(15-17)14-16-8-10-18(23)11-9-16/h4-11,17H,2-3,12-15H2,1H3/t17-/m0/s1
InChIKeyKIDLYXSPDAJKLH-KRWDZBQOSA-N
XLogP4.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346319
1-[(4-fluorophenyl)methyl]-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005570
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 40698749
1-benzyl-4-(1-heptylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005433
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25345342
4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242754
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242774
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
(4R)-1-[(4-fluorophenyl)methyl]-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 25345355
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005650

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one (CID 25346317) is (4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one is CCCCn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21.
What is the InChIKey of (4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is KIDLYXSPDAJKLH-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-2-3-12-26-20-7-5-4-6-19(20)24-22(26)17-13-21(27)25(15-17)14-16-8-10-18(23)11-9-16/h4-11,17H,2-3,12-15H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 365.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 25346317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).