1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C14H23F3N4O — CID 146123976

IUPAC1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCO[C@H]1C[C@@H](CN(C)C)N(Cc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C14H23F3N4O/c1-19(2)7-11-6-12(22-3)8-21(11)9-13-18-4-5-20(13)10-14(15,16)17/h4-5,11-12H,6-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyVOEJOHKAIKFJLK-RYUDHWBXSA-N
MW320.36 g/mol
LogP1.60
Rot. Bonds6

About 1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 146123976) has the molecular formula C14H23F3N4O and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID146123976
Molecular FormulaC14H23F3N4O
Molecular Weight320.36 g/mol
Exact Mass320.18
IUPAC Name1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCO[C@H]1C[C@@H](CN(C)C)N(Cc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C14H23F3N4O/c1-19(2)7-11-6-12(22-3)8-21(11)9-13-18-4-5-20(13)10-14(15,16)17/h4-5,11-12H,6-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyVOEJOHKAIKFJLK-RYUDHWBXSA-N
XLogP1.60
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 146123976) is 1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CO[C@H]1C[C@@H](CN(C)C)N(Cc2nccn2CC(F)(F)F)C1.
What is the InChIKey of 1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is VOEJOHKAIKFJLK-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23F3N4O/c1-19(2)7-11-6-12(22-3)8-21(11)9-13-18-4-5-20(13)10-14(15,16)17/h4-5,11-12H,6-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 320.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 146123976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).