(3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol

C12H18F2N2O — CID 114215848

IUPAC(3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)C1CCC(F)(F)C1
InChIInChI=1S/C12H18F2N2O/c1-2-6-16-7-5-15-11(16)10(17)9-3-4-12(13,14)8-9/h5,7,9-10,17H,2-4,6,8H2,1H3
InChIKeyIPDMYIUVSDPGJL-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.76
Rot. Bonds4

About (3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol

(3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol (PubChem CID 114215848) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol
PubChem CID114215848
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name(3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)C1CCC(F)(F)C1
InChIInChI=1S/C12H18F2N2O/c1-2-6-16-7-5-15-11(16)10(17)9-3-4-12(13,14)8-9/h5,7,9-10,17H,2-4,6,8H2,1H3
InChIKeyIPDMYIUVSDPGJL-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1-methyl-1H-imidazol-2-yl)propan-1-ol
CID 21589488
1-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787475
(S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-(1-methylimidazol-2-yl)methanol
CID 155543971
Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
1-(1-Pentylimidazol-2-yl)cyclohexan-1-ol
CID 102490462
2,2-Dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol
CID 102490463
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
3-Methyl-1-(1-pentylimidazol-2-yl)butan-1-ol
CID 134858954
1-(1-Butylimidazol-2-yl)-2,2,2-trifluoroethanol
CID 16322149
1-[1-(3-Fluorobut-3-enyl)imidazol-2-yl]-2-methylpropan-1-ol
CID 156288834
2,2,2-Trifluoro-1-[1-(4-fluoro-2-bicyclo[2.1.1]hexanyl)imidazol-2-yl]ethanol
CID 156302059
1-[1-[(3S)-3-fluoro-1-bicyclo[2.1.1]hexanyl]-4-iodoimidazol-2-yl]-2-methylpropan-1-ol
CID 156302084

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol (CID 114215848) is (3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)C1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is IPDMYIUVSDPGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-2-6-16-7-5-15-11(16)10(17)9-3-4-12(13,14)8-9/h5,7,9-10,17H,2-4,6,8H2,1H3.
What are the key properties of (3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol?
(3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 244.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 114215848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).