5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole

C14H20N2S — CID 10776978

IUPAC5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole
SMILESCC(C)c1cc(Cc2cnc[nH]2)c(C(C)C)s1
InChIInChI=1S/C14H20N2S/c1-9(2)13-6-11(14(17-13)10(3)4)5-12-7-15-8-16-12/h6-10H,5H2,1-4H3,(H,15,16)
InChIKeyXJQPUVAQAYCYQT-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.31
Rot. Bonds4

About 5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole

5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole (PubChem CID 10776978) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole
PubChem CID10776978
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole
SMILESCC(C)c1cc(Cc2cnc[nH]2)c(C(C)C)s1
InChIInChI=1S/C14H20N2S/c1-9(2)13-6-11(14(17-13)10(3)4)5-12-7-15-8-16-12/h6-10H,5H2,1-4H3,(H,15,16)
InChIKeyXJQPUVAQAYCYQT-UHFFFAOYSA-N
XLogP4.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,5-di(propan-2-yl)thiophen-3-yl]acetic acid
CID 83617237
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
CID 71315842
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
3-hydroxy-1-(1H-imidazol-5-yl)butan-2-one
CID 90739288
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N'-propan-2-ylbenzenecarboximidamide;hydrate
CID 135801666
5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole
CID 20711771
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine
CID 11499453
CID 59432002
CID 59432002

Frequently Asked Questions

What is the IUPAC name of 5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole?
The IUPAC name of 5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole (CID 10776978) is 5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole.
What is the SMILES notation for 5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole?
The canonical SMILES for 5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole is CC(C)c1cc(Cc2cnc[nH]2)c(C(C)C)s1.
What is the InChIKey of 5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole?
The InChIKey is XJQPUVAQAYCYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-9(2)13-6-11(14(17-13)10(3)4)5-12-7-15-8-16-12/h6-10H,5H2,1-4H3,(H,15,16).
What are the key properties of 5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole?
5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole has a molecular weight of 248.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,5-di(propan-2-yl)thiophen-3-yl]methyl]-1H-imidazole is sourced from PubChem (CID 10776978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).