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

C10H17F2N3O — CID 115641700

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-7(2)8(16)5-13-6-9-14-3-4-15(9)10(11)12/h3-4,7-8,10,13,16H,5-6H2,1-2H3
InChIKeyRCRNOPBMUGZDFW-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.38
Rot. Bonds6

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

1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol (PubChem CID 115641700) 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]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol
PubChem CID115641700
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-7(2)8(16)5-13-6-9-14-3-4-15(9)10(11)12/h3-4,7-8,10,13,16H,5-6H2,1-2H3
InChIKeyRCRNOPBMUGZDFW-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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol (CID 115641700) is 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol is CC(C)C(O)CNCc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol?
The InChIKey is RCRNOPBMUGZDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-7(2)8(16)5-13-6-9-14-3-4-15(9)10(11)12/h3-4,7-8,10,13,16H,5-6H2,1-2H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol?
1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-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 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 115641700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).