1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one

C16H19F3N4O — CID 126824340

IUPAC1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one
SMILESCN(CCN1CCCC1=O)Cc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H19F3N4O/c1-22(7-8-23-6-2-3-15(23)24)10-14-20-12-5-4-11(16(17,18)19)9-13(12)21-14/h4-5,9H,2-3,6-8,10H2,1H3,(H,20,21)
InChIKeyKPSYRPIKRGMIOR-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.64
Rot. Bonds5

About 1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one

1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one (PubChem CID 126824340) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one
PubChem CID126824340
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one
SMILESCN(CCN1CCCC1=O)Cc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H19F3N4O/c1-22(7-8-23-6-2-3-15(23)24)10-14-20-12-5-4-11(16(17,18)19)9-13(12)21-14/h4-5,9H,2-3,6-8,10H2,1H3,(H,20,21)
InChIKeyKPSYRPIKRGMIOR-UHFFFAOYSA-N
XLogP2.64
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]butanenitrile
CID 146077578
2,2,2-trifluoroacetic acid;1-[3-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 44524607
2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456132
2,2,2-trifluoroacetic acid;1-[3-[[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 44524595
2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455926
5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one
CID 138384460
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl N-tert-butyl-N-methylcarbamate
CID 140657671
2,6-dimethyl-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]morpholine
CID 134084566
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-ethyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 81456799
1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one
CID 72907484
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 156898005

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one (CID 126824340) is 1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one is CN(CCN1CCCC1=O)Cc1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is KPSYRPIKRGMIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-22(7-8-23-6-2-3-15(23)24)10-14-20-12-5-4-11(16(17,18)19)9-13(12)21-14/h4-5,9H,2-3,6-8,10H2,1H3,(H,20,21).
What are the key properties of 1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one?
1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 340.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 126824340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).