2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol

C21H19N3OS — CID 50967271

IUPAC2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
SMILESCc1ccsc1-c1c(-c2ccccc2)ncn1CC(O)c1cccnc1
InChIInChI=1S/C21H19N3OS/c1-15-9-11-26-21(15)20-19(16-6-3-2-4-7-16)23-14-24(20)13-18(25)17-8-5-10-22-12-17/h2-12,14,18,25H,13H2,1H3
InChIKeyFDCOBARPGLSKPI-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.72
Rot. Bonds5

About 2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol

2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol (PubChem CID 50967271) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
PubChem CID50967271
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
SMILESCc1ccsc1-c1c(-c2ccccc2)ncn1CC(O)c1cccnc1
InChIInChI=1S/C21H19N3OS/c1-15-9-11-26-21(15)20-19(16-6-3-2-4-7-16)23-14-24(20)13-18(25)17-8-5-10-22-12-17/h2-12,14,18,25H,13H2,1H3
InChIKeyFDCOBARPGLSKPI-UHFFFAOYSA-N
XLogP4.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[5-(2-ethoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
CID 95127760
(1S)-2-(4,5-diphenylimidazol-1-yl)-1-phenylethanol
CID 11850984
1-pyridin-3-yl-2-(2-pyridin-4-ylimidazol-1-yl)ethanol
CID 70721156
(1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 95223891
5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine
CID 50960962
(2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol
CID 95126287
3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one
CID 170560087
(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 78973972
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
1-carbazol-9-yl-3-(4,5-diphenylimidazol-1-yl)propan-2-ol
CID 2836174
4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
CID 95120357
3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine
CID 95200679

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol (CID 50967271) is 2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol is Cc1ccsc1-c1c(-c2ccccc2)ncn1CC(O)c1cccnc1.
What is the InChIKey of 2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol?
The InChIKey is FDCOBARPGLSKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-15-9-11-26-21(15)20-19(16-6-3-2-4-7-16)23-14-24(20)13-18(25)17-8-5-10-22-12-17/h2-12,14,18,25H,13H2,1H3.
What are the key properties of 2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol?
2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol has a molecular weight of 361.47 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol is sourced from PubChem (CID 50967271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).