2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole

C12H12N2S — CID 140963022

IUPAC2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole
SMILESC=Cc1ccc(CSc2ncc[nH]2)cc1
InChIInChI=1S/C12H12N2S/c1-2-10-3-5-11(6-4-10)9-15-12-13-7-8-14-12/h2-8H,1,9H2,(H,13,14)
InChIKeyBVTGUXWQQKGOSJ-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.35
Rot. Bonds4

About 2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole

2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole (PubChem CID 140963022) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole
PubChem CID140963022
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole
SMILESC=Cc1ccc(CSc2ncc[nH]2)cc1
InChIInChI=1S/C12H12N2S/c1-2-10-3-5-11(6-4-10)9-15-12-13-7-8-14-12/h2-8H,1,9H2,(H,13,14)
InChIKeyBVTGUXWQQKGOSJ-UHFFFAOYSA-N
XLogP3.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane
CID 58868338
N'-hydroxy-4-(1H-imidazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107780293
1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
CID 14745002
2-bromo-5-(1H-imidazol-2-ylsulfanylmethyl)aniline
CID 107779694
2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine
CID 122142925
2-(1H-imidazol-2-ylsulfanylmethyl)-1H-benzimidazole
CID 121223242
2-(1H-imidazol-2-ylsulfanyl)acetaldehyde
CID 57033997
2-[(4-ethenylphenyl)methylsulfanyl]-5-[(4-ethylphenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 70643926
2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 130608073
(NE)-N-[2-(1H-imidazol-2-ylsulfanyl)ethylidene]hydroxylamine
CID 119081896
1H-imidazol-2-yl thiohypobromite
CID 87059212
2-prop-2-ynylsulfanyl-1H-imidazole
CID 55287581

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole?
The IUPAC name of 2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole (CID 140963022) is 2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole.
What is the SMILES notation for 2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole?
The canonical SMILES for 2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole is C=Cc1ccc(CSc2ncc[nH]2)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole?
The InChIKey is BVTGUXWQQKGOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-2-10-3-5-11(6-4-10)9-15-12-13-7-8-14-12/h2-8H,1,9H2,(H,13,14).
What are the key properties of 2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole?
2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole has a molecular weight of 216.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole is sourced from PubChem (CID 140963022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).