[1-(thiophen-2-ylmethyl)imidazol-2-yl] formate

C9H8N2O2S — CID 88666996

IUPAC[1-(thiophen-2-ylmethyl)imidazol-2-yl] formate
SMILESO=COc1nccn1Cc1cccs1
InChIInChI=1S/C9H8N2O2S/c12-7-13-9-10-3-4-11(9)6-8-2-1-5-14-8/h1-5,7H,6H2
InChIKeyWDLPHMUQZAWBTF-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.53
Rot. Bonds4

About [1-(thiophen-2-ylmethyl)imidazol-2-yl] formate

[1-(thiophen-2-ylmethyl)imidazol-2-yl] formate (PubChem CID 88666996) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is [1-(thiophen-2-ylmethyl)imidazol-2-yl] formate.

Molecular Properties

Compound Name[1-(thiophen-2-ylmethyl)imidazol-2-yl] formate
PubChem CID88666996
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name[1-(thiophen-2-ylmethyl)imidazol-2-yl] formate
SMILESO=COc1nccn1Cc1cccs1
InChIInChI=1S/C9H8N2O2S/c12-7-13-9-10-3-4-11(9)6-8-2-1-5-14-8/h1-5,7H,6H2
InChIKeyWDLPHMUQZAWBTF-UHFFFAOYSA-N
XLogP1.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
CID 11137952
2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole
CID 15057077
N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine
CID 106561408
2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62223778
3-bromo-5-[1-(thiophen-2-ylmethyl)imidazol-2-yl]pyridine
CID 82562271
phenyl-[1-(thiophen-2-ylmethyl)imidazol-2-yl]methanol
CID 167786618
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
CID 82132226
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
1-(thiophen-2-ylmethyl)indole-4-carbaldehyde
CID 18973351
(3aS,6aR)-4-pyrimidin-2-yl-1-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 98821197
2,8-bis(thiophen-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 20855150
2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline
CID 82557902

Frequently Asked Questions

What is the IUPAC name of [1-(thiophen-2-ylmethyl)imidazol-2-yl] formate?
The IUPAC name of [1-(thiophen-2-ylmethyl)imidazol-2-yl] formate (CID 88666996) is [1-(thiophen-2-ylmethyl)imidazol-2-yl] formate.
What is the SMILES notation for [1-(thiophen-2-ylmethyl)imidazol-2-yl] formate?
The canonical SMILES for [1-(thiophen-2-ylmethyl)imidazol-2-yl] formate is O=COc1nccn1Cc1cccs1.
What is the InChIKey of [1-(thiophen-2-ylmethyl)imidazol-2-yl] formate?
The InChIKey is WDLPHMUQZAWBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-7-13-9-10-3-4-11(9)6-8-2-1-5-14-8/h1-5,7H,6H2.
What are the key properties of [1-(thiophen-2-ylmethyl)imidazol-2-yl] formate?
[1-(thiophen-2-ylmethyl)imidazol-2-yl] formate has a molecular weight of 208.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiophen-2-ylmethyl)imidazol-2-yl] formate is sourced from PubChem (CID 88666996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).