(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C22H23FN4O2 — CID 9115666

IUPAC(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H23FN4O2/c1-13(2)20(21-24-16-8-4-5-9-17(16)25-21)26-22(29)14-11-19(28)27(12-14)18-10-6-3-7-15(18)23/h3-10,13-14,20H,11-12H2,1-2H3,(H,24,25)(H,26,29)/t14-,20-/m1/s1
InChIKeyXVUBIPVWJIPDHJ-JLTOFOAXSA-N
MW394.45 g/mol
LogP3.57
Rot. Bonds5

About (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9115666) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9115666
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H23FN4O2/c1-13(2)20(21-24-16-8-4-5-9-17(16)25-21)26-22(29)14-11-19(28)27(12-14)18-10-6-3-7-15(18)23/h3-10,13-14,20H,11-12H2,1-2H3,(H,24,25)(H,26,29)/t14-,20-/m1/s1
InChIKeyXVUBIPVWJIPDHJ-JLTOFOAXSA-N
XLogP3.57
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 91823010
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(6-bromo-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97489994
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9113859
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39964849
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
1-(2-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43022713
(2R)-2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363195
(3R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 51935439
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 51935441
1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 166181824
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 121239421

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 9115666) is (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2[nH]1.
What is the InChIKey of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XVUBIPVWJIPDHJ-JLTOFOAXSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-13(2)20(21-24-16-8-4-5-9-17(16)25-21)26-22(29)14-11-19(28)27(12-14)18-10-6-3-7-15(18)23/h3-10,13-14,20H,11-12H2,1-2H3,(H,24,25)(H,26,29)/t14-,20-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9115666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).