[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol

C15H25F2N3O — CID 111440270

IUPAC[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol
SMILESCC1CC(C)(C)CC(CO)(NCc2nccn2C(F)F)C1
InChIInChI=1S/C15H25F2N3O/c1-11-6-14(2,3)9-15(7-11,10-21)19-8-12-18-4-5-20(12)13(16)17/h4-5,11,13,19,21H,6-10H2,1-3H3
InChIKeyYFSQYMVDTYTUPY-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.95
Rot. Bonds5

About [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol

[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol (PubChem CID 111440270) has the molecular formula C15H25F2N3O and a molecular weight of 301.38 g/mol. Its IUPAC name is [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol
PubChem CID111440270
Molecular FormulaC15H25F2N3O
Molecular Weight301.38 g/mol
Exact Mass301.20
IUPAC Name[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol
SMILESCC1CC(C)(C)CC(CO)(NCc2nccn2C(F)F)C1
InChIInChI=1S/C15H25F2N3O/c1-11-6-14(2,3)9-15(7-11,10-21)19-8-12-18-4-5-20(12)13(16)17/h4-5,11,13,19,21H,6-10H2,1-3H3
InChIKeyYFSQYMVDTYTUPY-UHFFFAOYSA-N
XLogP2.95
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.95
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]-3,3,5-trimethylcyclohexyl]methanol?
The IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol (CID 111440270) is [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol?
The canonical SMILES for [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol is CC1CC(C)(C)CC(CO)(NCc2nccn2C(F)F)C1.
What is the InChIKey of [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol?
The InChIKey is YFSQYMVDTYTUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3O/c1-11-6-14(2,3)9-15(7-11,10-21)19-8-12-18-4-5-20(12)13(16)17/h4-5,11,13,19,21H,6-10H2,1-3H3.
What are the key properties of [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol?
[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol has a molecular weight of 301.38 g/mol, XLogP of 2.95, 5 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]-3,3,5-trimethylcyclohexyl]methanol is sourced from PubChem (CID 111440270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).