2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C15H23F2N3O — CID 114339717

IUPAC2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1nccn1C(F)F
InChIInChI=1S/C15H23F2N3O/c16-15(17)20-9-7-18-14(20)10-19-8-3-5-12(19)11-4-1-2-6-13(11)21/h7,9,11-13,15,21H,1-6,8,10H2
InChIKeyIAXPJCNWBBIGBJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.79
Rot. Bonds4

About 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339717) has the molecular formula C15H23F2N3O and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339717
Molecular FormulaC15H23F2N3O
Molecular Weight299.36 g/mol
Exact Mass299.18
IUPAC Name2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1nccn1C(F)F
InChIInChI=1S/C15H23F2N3O/c16-15(17)20-9-7-18-14(20)10-19-8-3-5-12(19)11-4-1-2-6-13(11)21/h7,9,11-13,15,21H,1-6,8,10H2
InChIKeyIAXPJCNWBBIGBJ-UHFFFAOYSA-N
XLogP2.79
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Bis(imidazol-1-ylmethyl)cyclohexan-1-ol
CID 44591431
Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
1-[2-(2-Hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 136547178
cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol
CID 155057396
8-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55256498
2-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol
CID 60295604
2-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol
CID 62020281
2-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol
CID 62355774
3-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467620
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
CID 62522399
2-[[[1-(Difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 64912408

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339717) is 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCN1Cc1nccn1C(F)F.
What is the InChIKey of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is IAXPJCNWBBIGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c16-15(17)20-9-7-18-14(20)10-19-8-3-5-12(19)11-4-1-2-6-13(11)21/h7,9,11-13,15,21H,1-6,8,10H2.
What are the key properties of 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 299.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).