1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol

C10H17F2N3O — CID 115641683

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-2-3-8(16)6-13-7-9-14-4-5-15(9)10(11)12/h4-5,8,10,13,16H,2-3,6-7H2,1H3
InChIKeySEFSCBOZCPUFCE-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.53
Rot. Bonds7

About 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol

1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol (PubChem CID 115641683) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol
PubChem CID115641683
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-2-3-8(16)6-13-7-9-14-4-5-15(9)10(11)12/h4-5,8,10,13,16H,2-3,6-7H2,1H3
InChIKeySEFSCBOZCPUFCE-UHFFFAOYSA-N
XLogP1.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol 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 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol (CID 115641683) is 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol is CCCC(O)CNCc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol?
The InChIKey is SEFSCBOZCPUFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-2-3-8(16)6-13-7-9-14-4-5-15(9)10(11)12/h4-5,8,10,13,16H,2-3,6-7H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol?
1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol has a molecular weight of 233.26 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentan-2-ol is sourced from PubChem (CID 115641683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).