(4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one

C20H21FN4O — CID 125159658

IUPAC(4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)C[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H21FN4O/c1-24(13-19-22-17-8-7-15(21)10-18(17)23-19)11-14-9-20(26)25(12-14)16-5-3-2-4-6-16/h2-8,10,14H,9,11-13H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyIVCPPYFABULMSY-CQSZACIVSA-N
MW352.41 g/mol
LogP3.19
Rot. Bonds5

About (4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one

(4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 125159658) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is (4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one
PubChem CID125159658
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name(4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)C[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H21FN4O/c1-24(13-19-22-17-8-7-15(21)10-18(17)23-19)11-14-9-20(26)25(12-14)16-5-3-2-4-6-16/h2-8,10,14H,9,11-13H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyIVCPPYFABULMSY-CQSZACIVSA-N
XLogP3.19
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one
CID 138384460
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125165131
2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]acetamide
CID 90649450
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-2-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 154889287
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine
CID 131926246
1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 50965938
4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 118772164
N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 82335842
(4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125173745
4-fluoro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911714
2,4-difluoro-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 16919575

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one (CID 125159658) is (4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one is CN(Cc1nc2ccc(F)cc2[nH]1)C[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is IVCPPYFABULMSY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-24(13-19-22-17-8-7-15(21)10-18(17)23-19)11-14-9-20(26)25(12-14)16-5-3-2-4-6-16/h2-8,10,14H,9,11-13H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of (4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one?
(4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 352.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 125159658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).