N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide

C19H24F3N5O2 — CID 118525451

IUPACN,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide
SMILESCC(C)[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1nccn1CC(=O)N(C)C
InChIInChI=1S/C19H24F3N5O2/c1-12(2)16(17-23-9-10-27(17)11-15(28)26(3)4)25-18(29)24-14-7-5-13(6-8-14)19(20,21)22/h5-10,12,16H,11H2,1-4H3,(H2,24,25,29)/t16-/m0/s1
InChIKeyOLQUGJOMOLQLQT-INIZCTEOSA-N
MW411.43 g/mol
LogP3.51
Rot. Bonds6

About N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide

N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide (PubChem CID 118525451) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide
PubChem CID118525451
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC NameN,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide
SMILESCC(C)[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1nccn1CC(=O)N(C)C
InChIInChI=1S/C19H24F3N5O2/c1-12(2)16(17-23-9-10-27(17)11-15(28)26(3)4)25-18(29)24-14-7-5-13(6-8-14)19(20,21)22/h5-10,12,16H,11H2,1-4H3,(H2,24,25,29)/t16-/m0/s1
InChIKeyOLQUGJOMOLQLQT-INIZCTEOSA-N
XLogP3.51
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide (CID 118525451) is N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide is CC(C)[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1nccn1CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide?
The InChIKey is OLQUGJOMOLQLQT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c1-12(2)16(17-23-9-10-27(17)11-15(28)26(3)4)25-18(29)24-14-7-5-13(6-8-14)19(20,21)22/h5-10,12,16H,11H2,1-4H3,(H2,24,25,29)/t16-/m0/s1.
What are the key properties of N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide?
N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide has a molecular weight of 411.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 118525451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).