4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid

C12H17F2N3O2 — CID 60809705

IUPAC4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2nccn2C(F)F)CC1
InChIInChI=1S/C12H17F2N3O2/c13-12(14)17-6-5-15-10(17)7-16-9-3-1-8(2-4-9)11(18)19/h5-6,8-9,12,16H,1-4,7H2,(H,18,19)
InChIKeyRAMZDOFAIJWZQI-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.01
Rot. Bonds5

About 4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid

4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid (PubChem CID 60809705) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is 4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid
PubChem CID60809705
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2nccn2C(F)F)CC1
InChIInChI=1S/C12H17F2N3O2/c13-12(14)17-6-5-15-10(17)7-16-9-3-1-8(2-4-9)11(18)19/h5-6,8-9,12,16H,1-4,7H2,(H,18,19)
InChIKeyRAMZDOFAIJWZQI-UHFFFAOYSA-N
XLogP2.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid (CID 60809705) is 4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCc2nccn2C(F)F)CC1.
What is the InChIKey of 4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RAMZDOFAIJWZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c13-12(14)17-6-5-15-10(17)7-16-9-3-1-8(2-4-9)11(18)19/h5-6,8-9,12,16H,1-4,7H2,(H,18,19).
What are the key properties of 4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid?
4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).