2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol

C20H23N3OS — CID 50949049

IUPAC2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol
SMILESOCCn1cnc(-c2ccccc2)c1-c1cc(CN2CCCC2)cs1
InChIInChI=1S/C20H23N3OS/c24-11-10-23-15-21-19(17-6-2-1-3-7-17)20(23)18-12-16(14-25-18)13-22-8-4-5-9-22/h1-3,6-7,12,14-15,24H,4-5,8-11,13H2
InChIKeyBNOJJADKMJTDBF-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.87
Rot. Bonds6

About 2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol

2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol (PubChem CID 50949049) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol
PubChem CID50949049
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol
SMILESOCCn1cnc(-c2ccccc2)c1-c1cc(CN2CCCC2)cs1
InChIInChI=1S/C20H23N3OS/c24-11-10-23-15-21-19(17-6-2-1-3-7-17)20(23)18-12-16(14-25-18)13-22-8-4-5-9-22/h1-3,6-7,12,14-15,24H,4-5,8-11,13H2
InChIKeyBNOJJADKMJTDBF-UHFFFAOYSA-N
XLogP3.87
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
Disubstituted imidazole 27
CID 6539909
7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide
CID 10366583
4,5-Diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole
CID 2817093
1-Cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraen-7-yl)ethanol
CID 130361031
Ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate
CID 2817091
1-methyl-4-{2-[4-phenyl-5-(3-thienyl)-1H-imidazol-1-yl]ethyl}piperidin-4-ol
CID 50978286
4,5-Bis(2,5-dimethylthiophen-3-yl)-1-methylimidazole
CID 68013284
1-(5-{1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-1H-imidazol-5-yl}-3-thienyl)-N,N-dimethylmethanamine
CID 50950099
1-{[1-(methoxymethyl)cyclopropyl]methyl}-4-phenyl-5-(2-thienyl)-1H-imidazole
CID 50955992
1-{2-[5-(3-methyl-2-thienyl)-4-phenyl-1H-imidazol-1-yl]ethyl}imidazolidin-2-one
CID 50956740
3-{5-[4-phenyl-1-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]-2-thienyl}prop-2-yn-1-ol
CID 50966950

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol?
The IUPAC name of 2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol (CID 50949049) is 2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol?
The canonical SMILES for 2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol is OCCn1cnc(-c2ccccc2)c1-c1cc(CN2CCCC2)cs1.
What is the InChIKey of 2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol?
The InChIKey is BNOJJADKMJTDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c24-11-10-23-15-21-19(17-6-2-1-3-7-17)20(23)18-12-16(14-25-18)13-22-8-4-5-9-22/h1-3,6-7,12,14-15,24H,4-5,8-11,13H2.
What are the key properties of 2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol?
2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol has a molecular weight of 353.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]ethanol is sourced from PubChem (CID 50949049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).