[3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol

C22H21N3OS — CID 54191891

IUPAC[3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol
SMILESCc1ccc(Cn2cncc2C(O)c2ccc(-c3cscc3C)nc2)cc1
InChIInChI=1S/C22H21N3OS/c1-15-3-5-17(6-4-15)11-25-14-23-10-21(25)22(26)18-7-8-20(24-9-18)19-13-27-12-16(19)2/h3-10,12-14,22,26H,11H2,1-2H3
InChIKeyPJBRSIQVOGIHGY-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.75
Rot. Bonds5

About [3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol

[3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol (PubChem CID 54191891) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is [3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol
PubChem CID54191891
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name[3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol
SMILESCc1ccc(Cn2cncc2C(O)c2ccc(-c3cscc3C)nc2)cc1
InChIInChI=1S/C22H21N3OS/c1-15-3-5-17(6-4-15)11-25-14-23-10-21(25)22(26)18-7-8-20(24-9-18)19-13-27-12-16(19)2/h3-10,12-14,22,26H,11H2,1-2H3
InChIKeyPJBRSIQVOGIHGY-UHFFFAOYSA-N
XLogP4.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol 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

[3-[[5-methyl-6-(4-methylthiophen-3-yl)-3-pyridinyl]methyl]imidazol-4-yl]-(4-methylphenyl)methanamine
CID 54200381
phenyl-[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methanol
CID 23592025
[2-methyl-4-(4-methylphenyl)phenyl]-[3-[(3-methylphenyl)methyl]imidazol-4-yl]methanol
CID 54432683
4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 18779781
(3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane
CID 91148483
4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 70286456
1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol
CID 22466867
1-benzyl-5-[3,3-bis(4-methylphenyl)prop-1-en-2-yl]imidazole
CID 19904251
4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile
CID 142627977
5-methyl-1-[(4-thiophen-3-ylphenyl)methyl]imidazole
CID 70288831
(1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942663
(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
CID 97307465

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol?
The IUPAC name of [3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol (CID 54191891) is [3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol?
The canonical SMILES for [3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol is Cc1ccc(Cn2cncc2C(O)c2ccc(-c3cscc3C)nc2)cc1.
What is the InChIKey of [3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol?
The InChIKey is PJBRSIQVOGIHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-15-3-5-17(6-4-15)11-25-14-23-10-21(25)22(26)18-7-8-20(24-9-18)19-13-27-12-16(19)2/h3-10,12-14,22,26H,11H2,1-2H3.
What are the key properties of [3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol?
[3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol has a molecular weight of 375.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 54191891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).