2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol

C20H22FN3OS — CID 154816901

IUPAC2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol
SMILESOCC(c1ccc(F)cc1)n1ccnc1-c1cc(CN2CCCC2)cs1
InChIInChI=1S/C20H22FN3OS/c21-17-5-3-16(4-6-17)18(13-25)24-10-7-22-20(24)19-11-15(14-26-19)12-23-8-1-2-9-23/h3-7,10-11,14,18,25H,1-2,8-9,12-13H2
InChIKeyVQNUKXRDECWXKO-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.93
Rot. Bonds6

About 2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol

2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol (PubChem CID 154816901) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol
PubChem CID154816901
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC Name2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol
SMILESOCC(c1ccc(F)cc1)n1ccnc1-c1cc(CN2CCCC2)cs1
InChIInChI=1S/C20H22FN3OS/c21-17-5-3-16(4-6-17)18(13-25)24-10-7-22-20(24)19-11-15(14-26-19)12-23-8-1-2-9-23/h3-7,10-11,14,18,25H,1-2,8-9,12-13H2
InChIKeyVQNUKXRDECWXKO-UHFFFAOYSA-N
XLogP3.93
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[(5-bromothiophen-3-yl)methyl]azocane
CID 52623640
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 8871255
4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 133313578
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 111109189
1-(4-fluorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanol
CID 109411319
(4-fluorophenyl)methyl-dimethyl-(pyrrolidin-1-ylmethyl)silane
CID 19007253
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol
CID 92565801
2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
CID 135091119

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol (CID 154816901) is 2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol is OCC(c1ccc(F)cc1)n1ccnc1-c1cc(CN2CCCC2)cs1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol?
The InChIKey is VQNUKXRDECWXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c21-17-5-3-16(4-6-17)18(13-25)24-10-7-22-20(24)19-11-15(14-26-19)12-23-8-1-2-9-23/h3-7,10-11,14,18,25H,1-2,8-9,12-13H2.
What are the key properties of 2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol?
2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol has a molecular weight of 371.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol is sourced from PubChem (CID 154816901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).