2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol

C11H19F2N3O — CID 61246140

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1nccn1C(F)F
InChIInChI=1S/C11H19F2N3O/c1-8(2)5-9(7-17)15-6-10-14-3-4-16(10)11(12)13/h3-4,8-9,11,15,17H,5-7H2,1-2H3
InChIKeyJJPMSSWSFPZCIB-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.77
Rot. Bonds7

About 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol

2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol (PubChem CID 61246140) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol
PubChem CID61246140
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1nccn1C(F)F
InChIInChI=1S/C11H19F2N3O/c1-8(2)5-9(7-17)15-6-10-14-3-4-16(10)11(12)13/h3-4,8-9,11,15,17H,5-7H2,1-2H3
InChIKeyJJPMSSWSFPZCIB-UHFFFAOYSA-N
XLogP1.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyclohexyl-2-[(1-methylimidazol-2-yl)methylamino]propan-1-ol
CID 97567526
trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol
CID 119039399
(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
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
(2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol
CID 101415591
bis(trifluoromethylsulfonyl)azanide;(2S)-2-[(1-butyl-3-methylimidazol-3-ium-2-yl)methylamino]-3-methylbutan-1-ol
CID 11504740
bis(trifluoromethylsulfonyl)azanide;(2R)-2-[(1-butyl-3-methylimidazol-3-ium-2-yl)methylamino]-4-methylpentan-1-ol
CID 11584779
bis(trifluoromethylsulfonyl)azanide;(2S)-2-[(1-butyl-3-methylimidazol-3-ium-2-yl)methylamino]-4-methylpentan-1-ol
CID 11685371
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methoxypropan-2-amine
CID 43112009

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol (CID 61246140) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol is CC(C)CC(CO)NCc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol?
The InChIKey is JJPMSSWSFPZCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c1-8(2)5-9(7-17)15-6-10-14-3-4-16(10)11(12)13/h3-4,8-9,11,15,17H,5-7H2,1-2H3.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol?
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol has a molecular weight of 247.29 g/mol, XLogP of 1.77, 7 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]-4-methylpentan-1-ol is sourced from PubChem (CID 61246140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).