2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide

C9H13F3N4O — CID 70079847

IUPAC2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide
SMILESCc1[nH]c(C(CC(F)(F)F)C(N)=O)nc1CN
InChIInChI=1S/C9H13F3N4O/c1-4-6(3-13)16-8(15-4)5(7(14)17)2-9(10,11)12/h5H,2-3,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyIBERFBCNSJRABD-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.70
Rot. Bonds4

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

2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide (PubChem CID 70079847) 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]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide
PubChem CID70079847
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide
SMILESCc1[nH]c(C(CC(F)(F)F)C(N)=O)nc1CN
InChIInChI=1S/C9H13F3N4O/c1-4-6(3-13)16-8(15-4)5(7(14)17)2-9(10,11)12/h5H,2-3,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyIBERFBCNSJRABD-UHFFFAOYSA-N
XLogP0.70
TPSA97.79 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 ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide (CID 70079847) is 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide is Cc1[nH]c(C(CC(F)(F)F)C(N)=O)nc1CN.
What is the InChIKey of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide?
The InChIKey is IBERFBCNSJRABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-4-6(3-13)16-8(15-4)5(7(14)17)2-9(10,11)12/h5H,2-3,13H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide?
2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-4,4,4-trifluorobutanamide has a molecular weight of 250.22 g/mol, XLogP of 0.70, 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]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 70079847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).