2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide

C9H13F3N4O — CID 70079845

IUPAC2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1[nH]c(CC(=O)NCC(F)(F)F)nc1CN
InChIInChI=1S/C9H13F3N4O/c1-5-6(3-13)16-7(15-5)2-8(17)14-4-9(10,11)12/h2-4,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyVKLHOWRMYMEFGC-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.40
Rot. Bonds4

About 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 70079845) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID70079845
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1[nH]c(CC(=O)NCC(F)(F)F)nc1CN
InChIInChI=1S/C9H13F3N4O/c1-5-6(3-13)16-7(15-5)2-8(17)14-4-9(10,11)12/h2-4,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyVKLHOWRMYMEFGC-UHFFFAOYSA-N
XLogP0.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide
CID 70079847
4-(pentylamino)-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 71150968
[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine
CID 82373825
[2-methyl-4-(trifluoromethyl)-1H-imidazol-5-yl]methanamine
CID 82373834
1-[[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methyl]piperazine
CID 82622999
2,2,2-trifluoro-1-[4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 91837009
2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 130671592
[(2,4-dimethyl-1H-imidazol-5-yl)methyl][2-(methylamino)ethyl](2,2,2-trifluoroethyl)amine
CID 165510539
N-methyl-3-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}butanamide
CID 50954861
2-methyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]-1,4-diazepan-5-one
CID 50956336
2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2-dimethylpropyl)acetamide
CID 54032868

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 70079845) is 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1[nH]c(CC(=O)NCC(F)(F)F)nc1CN.
What is the InChIKey of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VKLHOWRMYMEFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5-6(3-13)16-7(15-5)2-8(17)14-4-9(10,11)12/h2-4,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 250.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 70079845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).