1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole

C15H14N2S — CID 113353800

IUPAC1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole
SMILESCc1cccc(Cn2ccnc2-c2cccs2)c1
InChIInChI=1S/C15H14N2S/c1-12-4-2-5-13(10-12)11-17-8-7-16-15(17)14-6-3-9-18-14/h2-10H,11H2,1H3
InChIKeyFWWXWAHOJAMBCH-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.97
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole

1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole (PubChem CID 113353800) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole
PubChem CID113353800
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole
SMILESCc1cccc(Cn2ccnc2-c2cccs2)c1
InChIInChI=1S/C15H14N2S/c1-12-4-2-5-13(10-12)11-17-8-7-16-15(17)14-6-3-9-18-14/h2-10H,11H2,1H3
InChIKeyFWWXWAHOJAMBCH-UHFFFAOYSA-N
XLogP3.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 105409270
1-[(4-ethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 116621535
N-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridin-2-amine
CID 55075721
1-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 115917901
1-[(2-chloro-4-methylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 106869997
3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine
CID 104809193
3-fluoro-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]aniline
CID 112646317
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
2-methoxy-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]benzonitrile
CID 65344033
1-methyl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]triazole
CID 103931151
5-methyl-3-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115917888
1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole
CID 116621627

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole (CID 113353800) is 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole is Cc1cccc(Cn2ccnc2-c2cccs2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole?
The InChIKey is FWWXWAHOJAMBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-12-4-2-5-13(10-12)11-17-8-7-16-15(17)14-6-3-9-18-14/h2-10H,11H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole?
1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole has a molecular weight of 254.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole is sourced from PubChem (CID 113353800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).