[1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol

C12H18F2N2O — CID 141394692

IUPAC[1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol
SMILESCc1cn(CC2CCC(F)(F)CC2)c(CO)n1
InChIInChI=1S/C12H18F2N2O/c1-9-6-16(11(8-17)15-9)7-10-2-4-12(13,14)5-3-10/h6,10,17H,2-5,7-8H2,1H3
InChIKeyNODLRZNODDQATR-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.51
Rot. Bonds3

About [1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol

[1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol (PubChem CID 141394692) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is [1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol
PubChem CID141394692
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name[1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol
SMILESCc1cn(CC2CCC(F)(F)CC2)c(CO)n1
InChIInChI=1S/C12H18F2N2O/c1-9-6-16(11(8-17)15-9)7-10-2-4-12(13,14)5-3-10/h6,10,17H,2-5,7-8H2,1H3
InChIKeyNODLRZNODDQATR-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol?
The IUPAC name of [1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol (CID 141394692) is [1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol.
What is the SMILES notation for [1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol?
The canonical SMILES for [1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol is Cc1cn(CC2CCC(F)(F)CC2)c(CO)n1.
What is the InChIKey of [1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol?
The InChIKey is NODLRZNODDQATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-9-6-16(11(8-17)15-9)7-10-2-4-12(13,14)5-3-10/h6,10,17H,2-5,7-8H2,1H3.
What are the key properties of [1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol?
[1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol has a molecular weight of 244.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,4-difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol is sourced from PubChem (CID 141394692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).