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

C17H20F3N5O2 — CID 118525457

IUPAC2-[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(N)=O
InChIInChI=1S/C17H20F3N5O2/c1-10(2)14(15-22-7-8-25(15)9-13(21)26)24-16(27)23-12-5-3-11(4-6-12)17(18,19)20/h3-8,10,14H,9H2,1-2H3,(H2,21,26)(H2,23,24,27)/t14-/m0/s1
InChIKeyWTLVSUQHIYDEEL-AWEZNQCLSA-N
MW383.37 g/mol
LogP2.91
Rot. Bonds6

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

2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide (PubChem CID 118525457) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide
PubChem CID118525457
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name2-[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(N)=O
InChIInChI=1S/C17H20F3N5O2/c1-10(2)14(15-22-7-8-25(15)9-13(21)26)24-16(27)23-12-5-3-11(4-6-12)17(18,19)20/h3-8,10,14H,9H2,1-2H3,(H2,21,26)(H2,23,24,27)/t14-/m0/s1
InChIKeyWTLVSUQHIYDEEL-AWEZNQCLSA-N
XLogP2.91
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide (CID 118525457) is 2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide?
The canonical SMILES for 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(N)=O.
What is the InChIKey of 2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide?
The InChIKey is WTLVSUQHIYDEEL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-10(2)14(15-22-7-8-25(15)9-13(21)26)24-16(27)23-12-5-3-11(4-6-12)17(18,19)20/h3-8,10,14H,9H2,1-2H3,(H2,21,26)(H2,23,24,27)/t14-/m0/s1.
What are the key properties of 2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide?
2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide has a molecular weight of 383.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-2-methyl-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 118525457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).