2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol

C10H17F2N3O — CID 79249322

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-7(2)8(6-16)14-5-9-13-3-4-15(9)10(11)12/h3-4,7-8,10,14,16H,5-6H2,1-2H3
InChIKeyOZBBHMRTVWKXHL-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.38
Rot. Bonds6

About 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol

2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol (PubChem CID 79249322) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
PubChem CID79249322
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-7(2)8(6-16)14-5-9-13-3-4-15(9)10(11)12/h3-4,7-8,10,14,16H,5-6H2,1-2H3
InChIKeyOZBBHMRTVWKXHL-UHFFFAOYSA-N
XLogP1.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol with MolForge

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Related Compounds

3-[(1-Methylimidazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 53615638
2-{[(1-methyl-1H-imidazol-2-yl)methyl]amino}ethanol
CID 28063981
3-amino-2,2-dimethyl-3-(1-methyl-1H-imidazol-2-yl)propan-1-ol
CID 121552300
(3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol
CID 164629868
[1-[(2S)-3,3-difluorobutan-2-yl]imidazol-2-yl]methanol
CID 141406626
2-Methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol
CID 170402572
3-Methyl-2-[[2-(trifluoromethyl)imidazol-1-yl]methyl]butan-1-ol
CID 170416370
Ethane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol
CID 170602581
2-Methylpropane;2-methyl-3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-ol
CID 170603688
(2S)-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-methylbutan-2-amine
CID 173848663
rac-(S)-2-(1H-Imidazol-1-yl)-3-methylbutan-1-ol
CID 11051879
(2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol
CID 101415591

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol (CID 79249322) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol is CC(C)C(CO)NCc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol?
The InChIKey is OZBBHMRTVWKXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-7(2)8(6-16)14-5-9-13-3-4-15(9)10(11)12/h3-4,7-8,10,14,16H,5-6H2,1-2H3.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol?
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol has a molecular weight of 233.26 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 79249322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).