N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide

C24H27FN4O2 — CID 42387185

IUPACN,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C24H27FN4O2/c1-3-27(4-2)23(31)16-29-21-8-6-5-7-20(21)26-24(29)18-13-22(30)28(15-18)14-17-9-11-19(25)12-10-17/h5-12,18H,3-4,13-16H2,1-2H3/t18-/m0/s1
InChIKeyXCTLXNLYBNSZQQ-SFHVURJKSA-N
MW422.50 g/mol
LogP3.56
Rot. Bonds7

About N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide

N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide (PubChem CID 42387185) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
PubChem CID42387185
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C24H27FN4O2/c1-3-27(4-2)23(31)16-29-21-8-6-5-7-20(21)26-24(29)18-13-22(30)28(15-18)14-17-9-11-19(25)12-10-17/h5-12,18H,3-4,13-16H2,1-2H3/t18-/m0/s1
InChIKeyXCTLXNLYBNSZQQ-SFHVURJKSA-N
XLogP3.56
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide
CID 17005505
N-ethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 27407304
N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17005683
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 40698749
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005558
2-[2-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387158
2-[2-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387157
1-[(4-fluorophenyl)methyl]-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005570
(4R)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346319
(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346317
(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25345342
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242774

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide (CID 42387185) is N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide is CCN(CC)C(=O)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21.
What is the InChIKey of N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The InChIKey is XCTLXNLYBNSZQQ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-3-27(4-2)23(31)16-29-21-8-6-5-7-20(21)26-24(29)18-13-22(30)28(15-18)14-17-9-11-19(25)12-10-17/h5-12,18H,3-4,13-16H2,1-2H3/t18-/m0/s1.
What are the key properties of N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide has a molecular weight of 422.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 42387185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).