2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol

C21H25FN2OS — CID 175911266

IUPAC2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol
SMILESCc1nccn1Cc1ccc(-c2cc(CC(C)C)sc2CCO)cc1F
InChIInChI=1S/C21H25FN2OS/c1-14(2)10-18-12-19(21(26-18)6-9-25)16-4-5-17(20(22)11-16)13-24-8-7-23-15(24)3/h4-5,7-8,11-12,14,25H,6,9-10,13H2,1-3H3
InChIKeyVRZXUWKZTSNLOW-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.84
Rot. Bonds7

About 2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol

2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol (PubChem CID 175911266) has the molecular formula C21H25FN2OS and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol
PubChem CID175911266
Molecular FormulaC21H25FN2OS
Molecular Weight372.51 g/mol
Exact Mass372.17
IUPAC Name2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol
SMILESCc1nccn1Cc1ccc(-c2cc(CC(C)C)sc2CCO)cc1F
InChIInChI=1S/C21H25FN2OS/c1-14(2)10-18-12-19(21(26-18)6-9-25)16-4-5-17(20(22)11-16)13-24-8-7-23-15(24)3/h4-5,7-8,11-12,14,25H,6,9-10,13H2,1-3H3
InChIKeyVRZXUWKZTSNLOW-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-Fluoro-4-(4-methylthiophen-3-yl)phenyl]propyl]imidazole
CID 44456221
N-[(2-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 16677881
(2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol
CID 96577477
2-[(5-Cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 131950135
3-[3-Fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
CID 162746940
2-Ethyl-1-[[4-[2-ethylsulfonyl-5-(2-methylpropyl)thiophen-3-yl]-2-fluorophenyl]methyl]imidazole
CID 162746955
1-[5-fluoro-2-(5-methylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 163257354
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-[5-fluoro-2-(5-propan-2-ylthiophen-2-yl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 166546214
2-[5-(2,2-difluoroethyl)-2-[(2S,4S)-2,4-dimethyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]thiophen-3-yl]ethanol
CID 169140537
[3-[3-Fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfinylcarbamic acid
CID 169721947

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol?
The IUPAC name of 2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol (CID 175911266) is 2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol.
What is the SMILES notation for 2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol?
The canonical SMILES for 2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol is Cc1nccn1Cc1ccc(-c2cc(CC(C)C)sc2CCO)cc1F.
What is the InChIKey of 2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol?
The InChIKey is VRZXUWKZTSNLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2OS/c1-14(2)10-18-12-19(21(26-18)6-9-25)16-4-5-17(20(22)11-16)13-24-8-7-23-15(24)3/h4-5,7-8,11-12,14,25H,6,9-10,13H2,1-3H3.
What are the key properties of 2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol?
2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol has a molecular weight of 372.51 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-fluoro-4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]ethanol is sourced from PubChem (CID 175911266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).