1-[3-(4-methylthiophen-3-yl)propyl]imidazole

C11H14N2S — CID 67658742

IUPAC1-[3-(4-methylthiophen-3-yl)propyl]imidazole
SMILESCc1cscc1CCCn1ccnc1
InChIInChI=1S/C11H14N2S/c1-10-7-14-8-11(10)3-2-5-13-6-4-12-9-13/h4,6-9H,2-3,5H2,1H3
InChIKeyRNKNHHCSAOMRMD-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.89
Rot. Bonds4

About 1-[3-(4-methylthiophen-3-yl)propyl]imidazole

1-[3-(4-methylthiophen-3-yl)propyl]imidazole (PubChem CID 67658742) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-[3-(4-methylthiophen-3-yl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-methylthiophen-3-yl)propyl]imidazole
PubChem CID67658742
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-[3-(4-methylthiophen-3-yl)propyl]imidazole
SMILESCc1cscc1CCCn1ccnc1
InChIInChI=1S/C11H14N2S/c1-10-7-14-8-11(10)3-2-5-13-6-4-12-9-13/h4,6-9H,2-3,5H2,1H3
InChIKeyRNKNHHCSAOMRMD-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-1,2,4-triazine
CID 15307832
2-(3-imidazol-1-ylpropyl)-3-methylbenzene-1,4-diamine
CID 137462166
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
sodium;1-butylimidazole;bromide
CID 175480877
1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole
CID 67807379
1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
3-(4-imidazol-1-ylbutyl)thiophene-2-carbonitrile
CID 142177935
1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
CID 2850907
1-[4-(3-imidazol-1-ylpropyl)phenyl]ethanone
CID 142964168
1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015
1-(3-chloropropyl)imidazole;hydrochloride
CID 75539477

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylthiophen-3-yl)propyl]imidazole?
The IUPAC name of 1-[3-(4-methylthiophen-3-yl)propyl]imidazole (CID 67658742) is 1-[3-(4-methylthiophen-3-yl)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-methylthiophen-3-yl)propyl]imidazole?
The canonical SMILES for 1-[3-(4-methylthiophen-3-yl)propyl]imidazole is Cc1cscc1CCCn1ccnc1.
What is the InChIKey of 1-[3-(4-methylthiophen-3-yl)propyl]imidazole?
The InChIKey is RNKNHHCSAOMRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-10-7-14-8-11(10)3-2-5-13-6-4-12-9-13/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 1-[3-(4-methylthiophen-3-yl)propyl]imidazole?
1-[3-(4-methylthiophen-3-yl)propyl]imidazole has a molecular weight of 206.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylthiophen-3-yl)propyl]imidazole is sourced from PubChem (CID 67658742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).