5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole

C9H9ClN2S — CID 117259295

IUPAC5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
SMILESCn1c(Cl)cnc1Cc1cccs1
InChIInChI=1S/C9H9ClN2S/c1-12-8(10)6-11-9(12)5-7-3-2-4-13-7/h2-4,6H,5H2,1H3
InChIKeyCNQFWTXIMXZCFQ-UHFFFAOYSA-N
MW212.71 g/mol
LogP2.73
Rot. Bonds2

About 5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole

5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole (PubChem CID 117259295) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
PubChem CID117259295
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
SMILESCn1c(Cl)cnc1Cc1cccs1
InChIInChI=1S/C9H9ClN2S/c1-12-8(10)6-11-9(12)5-7-3-2-4-13-7/h2-4,6H,5H2,1H3
InChIKeyCNQFWTXIMXZCFQ-UHFFFAOYSA-N
XLogP2.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117142407
2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
(5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride
CID 47002541
1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
CID 82067986
7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144497
6-methyl-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117149200
1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746861
(5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 86913932
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209804
3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141200
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143568
2-[(3-chloro-2-methylphenyl)methyl]thiophene
CID 174830599

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole?
The IUPAC name of 5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole (CID 117259295) is 5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole?
The canonical SMILES for 5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole is Cn1c(Cl)cnc1Cc1cccs1.
What is the InChIKey of 5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole?
The InChIKey is CNQFWTXIMXZCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c1-12-8(10)6-11-9(12)5-7-3-2-4-13-7/h2-4,6H,5H2,1H3.
What are the key properties of 5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole?
5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole has a molecular weight of 212.71 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole is sourced from PubChem (CID 117259295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).