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

C9H15F2N3O — CID 43416447

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-2-7(6-15)13-5-8-12-3-4-14(8)9(10)11/h3-4,7,9,13,15H,2,5-6H2,1H3
InChIKeyBPTTXYDKCDMYEE-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.14
Rot. Bonds6

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

2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol (PubChem CID 43416447) has the molecular formula C9H15F2N3O and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol
PubChem CID43416447
Molecular FormulaC9H15F2N3O
Molecular Weight219.23 g/mol
Exact Mass219.12
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-2-7(6-15)13-5-8-12-3-4-14(8)9(10)11/h3-4,7,9,13,15H,2,5-6H2,1H3
InChIKeyBPTTXYDKCDMYEE-UHFFFAOYSA-N
XLogP1.14
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S)-2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
CID 79250495
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
CID 43111973
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylpentan-2-amine
CID 63837939
1-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]propan-1-amine
CID 115714091
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylbutan-1-amine
CID 115641650
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylsulfanylpropan-2-amine
CID 115660800
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxybutan-2-amine
CID 115714090
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-1-amine
CID 115641541
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylsulfinylethanamine
CID 115641707
(1S)-1-cycloheptyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 81391865

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol (CID 43416447) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol is CCC(CO)NCc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol?
The InChIKey is BPTTXYDKCDMYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-2-7(6-15)13-5-8-12-3-4-14(8)9(10)11/h3-4,7,9,13,15H,2,5-6H2,1H3.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol?
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol has a molecular weight of 219.23 g/mol, XLogP of 1.14, 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]butan-1-ol is sourced from PubChem (CID 43416447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).