2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

C27H33FN4O2 — CID 19242486

IUPAC2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(C2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21
InChIInChI=1S/C27H33FN4O2/c1-18(2)14-30(15-19(3)4)26(34)17-32-24-11-6-5-10-23(24)29-27(32)20-12-25(33)31(16-20)22-9-7-8-21(28)13-22/h5-11,13,18-20H,12,14-17H2,1-4H3
InChIKeyXZNKPGVEJOOGRW-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.84
Rot. Bonds8

About 2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 19242486) has the molecular formula C27H33FN4O2 and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID19242486
Molecular FormulaC27H33FN4O2
Molecular Weight464.59 g/mol
Exact Mass464.26
IUPAC Name2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(C2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21
InChIInChI=1S/C27H33FN4O2/c1-18(2)14-30(15-19(3)4)26(34)17-32-24-11-6-5-10-23(24)29-27(32)20-12-25(33)31(16-20)22-9-7-8-21(28)13-22/h5-11,13,18-20H,12,14-17H2,1-4H3
InChIKeyXZNKPGVEJOOGRW-UHFFFAOYSA-N
XLogP4.84
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387120
2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16965011
2-[2-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16965173
N,N-diethyl-2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 42387118
2-[2-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17004639
2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 19242638
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-(3-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242434
1-(3-fluorophenyl)-4-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005867
N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide
CID 17002613
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (CID 19242486) is 2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)Cn1c(C2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21.
What is the InChIKey of 2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is XZNKPGVEJOOGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O2/c1-18(2)14-30(15-19(3)4)26(34)17-32-24-11-6-5-10-23(24)29-27(32)20-12-25(33)31(16-20)22-9-7-8-21(28)13-22/h5-11,13,18-20H,12,14-17H2,1-4H3.
What are the key properties of 2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 464.59 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 19242486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).