4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid

C10H15F2N3O2 — CID 55208593

IUPAC4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1nccn1C(F)F
InChIInChI=1S/C10H15F2N3O2/c1-14(5-2-3-9(16)17)7-8-13-4-6-15(8)10(11)12/h4,6,10H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyIPTGXOFUQSLEJW-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.57
Rot. Bonds7

About 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid

4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid (PubChem CID 55208593) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid
PubChem CID55208593
Molecular FormulaC10H15F2N3O2
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1nccn1C(F)F
InChIInChI=1S/C10H15F2N3O2/c1-14(5-2-3-9(16)17)7-8-13-4-6-15(8)10(11)12/h4,6,10H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyIPTGXOFUQSLEJW-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid 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

1H-Imidazole-1-butanoic acid
CID 3055390
Ethyl 1H-imidazole-1-butanoate
CID 3055389
3-(1H-imidazol-1-yl)butanoic acid
CID 3101198
3-(2-methyl-1H-imidazol-1-yl)propanoic acid
CID 654387
3-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoic acid hydrochloride
CID 9549448
3-(2-isopropyl-1H-imidazol-1-yl)propanoic acid
CID 747640
Imidazole-1-butyric acid, 2-methyl-, ethyl ester
CID 3066545
Imidazole-1-butyric acid, 2-methyl-
CID 3066546
4,4,4-trifluoro-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)butanoic acid
CID 16227801
1-Ethyl-3-methylimidazolium Trifluoroacetate
CID 9815936
1-Butyl-3-methylimidazolium Trifluoroacetate
CID 10125280
(1-Methyl-1H-imidazol-2-yl)acetic acid
CID 23043581

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid?
The IUPAC name of 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid (CID 55208593) is 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid?
The canonical SMILES for 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid is CN(CCCC(=O)O)Cc1nccn1C(F)F.
What is the InChIKey of 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid?
The InChIKey is IPTGXOFUQSLEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-14(5-2-3-9(16)17)7-8-13-4-6-15(8)10(11)12/h4,6,10H,2-3,5,7H2,1H3,(H,16,17).
What are the key properties of 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid?
4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]butanoic acid is sourced from PubChem (CID 55208593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).