(2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol

C17H16F2N2OS — CID 96577477

IUPAC(2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol
SMILESOC[C@@H](Cc1cccs1)Cn1ccnc1-c1cc(F)ccc1F
InChIInChI=1S/C17H16F2N2OS/c18-13-3-4-16(19)15(9-13)17-20-5-6-21(17)10-12(11-22)8-14-2-1-7-23-14/h1-7,9,12,22H,8,10-11H2/t12-/m0/s1
InChIKeyAVRHBZXBALHYHN-LBPRGKRZSA-N
MW334.39 g/mol
LogP3.74
Rot. Bonds6

About (2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol

(2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol (PubChem CID 96577477) has the molecular formula C17H16F2N2OS and a molecular weight of 334.39 g/mol. Its IUPAC name is (2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol
PubChem CID96577477
Molecular FormulaC17H16F2N2OS
Molecular Weight334.39 g/mol
Exact Mass334.10
IUPAC Name(2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol
SMILESOC[C@@H](Cc1cccs1)Cn1ccnc1-c1cc(F)ccc1F
InChIInChI=1S/C17H16F2N2OS/c18-13-3-4-16(19)15(9-13)17-20-5-6-21(17)10-12(11-22)8-14-2-1-7-23-14/h1-7,9,12,22H,8,10-11H2/t12-/m0/s1
InChIKeyAVRHBZXBALHYHN-LBPRGKRZSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(3,4-Difluorophenyl)thiophen-2-yl]methyl]imidazole
CID 44456367
2-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazole
CID 56874022
(1-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}piperidin-2-yl)methanol
CID 56879472
1-[(3-Fluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 75446464
1-Tert-butyl-2-[5-[2-(4-fluoro-3-methylphenyl)ethynyl]thiophen-2-yl]imidazole
CID 91174327
(1S)-3-(3-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-3-imidazol-1-ylpropan-1-ol
CID 130360707
1-Tert-butyl-2-[5-[2-(2-fluorophenyl)ethynyl]thiophen-2-yl]imidazole
CID 141140915
1-Tert-butyl-2-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]imidazole
CID 141140922
1-Tert-butyl-2-[5-[2-(4-fluorophenyl)ethynyl]thiophen-2-yl]imidazole
CID 141140923
2-Ethyl-1-[[2-fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]imidazole
CID 164852101
1-[[2-Fluoro-4-[5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole
CID 164852102
1-[[2-Fluoro-4-[4-(2-methoxyethyl)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methyl]-2-methylimidazole
CID 175447244

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of (2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol (CID 96577477) is (2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for (2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for (2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol is OC[C@@H](Cc1cccs1)Cn1ccnc1-c1cc(F)ccc1F.
What is the InChIKey of (2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol?
The InChIKey is AVRHBZXBALHYHN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16F2N2OS/c18-13-3-4-16(19)15(9-13)17-20-5-6-21(17)10-12(11-22)8-14-2-1-7-23-14/h1-7,9,12,22H,8,10-11H2/t12-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol?
(2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol has a molecular weight of 334.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 96577477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).