1-methyl-5-(thiophen-3-ylmethyl)imidazole

C9H10N2S — CID 59037611

IUPAC1-methyl-5-(thiophen-3-ylmethyl)imidazole
SMILESCn1cncc1Cc1ccsc1
InChIInChI=1S/C9H10N2S/c1-11-7-10-5-9(11)4-8-2-3-12-6-8/h2-3,5-7H,4H2,1H3
InChIKeyXRQCRPKUSOYQCD-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.07
Rot. Bonds2

About 1-methyl-5-(thiophen-3-ylmethyl)imidazole

1-methyl-5-(thiophen-3-ylmethyl)imidazole (PubChem CID 59037611) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-methyl-5-(thiophen-3-ylmethyl)imidazole.

Molecular Properties

Compound Name1-methyl-5-(thiophen-3-ylmethyl)imidazole
PubChem CID59037611
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name1-methyl-5-(thiophen-3-ylmethyl)imidazole
SMILESCn1cncc1Cc1ccsc1
InChIInChI=1S/C9H10N2S/c1-11-7-10-5-9(11)4-8-2-3-12-6-8/h2-3,5-7H,4H2,1H3
InChIKeyXRQCRPKUSOYQCD-UHFFFAOYSA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(thiophen-3-ylmethyl)imidazol-4-yl]methanamine
CID 66150778
[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol
CID 66150617
N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150573
2-methyl-N-[[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66146542
3-(2-thiophen-3-ylethyl)imidazole-4-carbaldehyde
CID 66146790
4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 115395118
ethane;1-methyl-5-propylimidazole
CID 143528029
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
5-(2-chloroethyl)-1-methylimidazole
CID 55303356
1-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117192815
1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
CID 66162635
3-(thiophen-3-ylmethyl)imidazole-4-carbaldehyde
CID 66146798

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(thiophen-3-ylmethyl)imidazole?
The IUPAC name of 1-methyl-5-(thiophen-3-ylmethyl)imidazole (CID 59037611) is 1-methyl-5-(thiophen-3-ylmethyl)imidazole.
What is the SMILES notation for 1-methyl-5-(thiophen-3-ylmethyl)imidazole?
The canonical SMILES for 1-methyl-5-(thiophen-3-ylmethyl)imidazole is Cn1cncc1Cc1ccsc1.
What is the InChIKey of 1-methyl-5-(thiophen-3-ylmethyl)imidazole?
The InChIKey is XRQCRPKUSOYQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-11-7-10-5-9(11)4-8-2-3-12-6-8/h2-3,5-7H,4H2,1H3.
What are the key properties of 1-methyl-5-(thiophen-3-ylmethyl)imidazole?
1-methyl-5-(thiophen-3-ylmethyl)imidazole has a molecular weight of 178.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(thiophen-3-ylmethyl)imidazole is sourced from PubChem (CID 59037611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).