2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C12H12N4S — CID 2998592

IUPAC2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCn1ccnc1SCc1cn2ccccc2n1
InChIInChI=1S/C12H12N4S/c1-15-7-5-13-12(15)17-9-10-8-16-6-3-2-4-11(16)14-10/h2-8H,9H2,1H3
InChIKeyRBAVNKCVEGKJKO-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.36
Rot. Bonds3

About 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 2998592) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID2998592
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCn1ccnc1SCc1cn2ccccc2n1
InChIInChI=1S/C12H12N4S/c1-15-7-5-13-12(15)17-9-10-8-16-6-3-2-4-11(16)14-10/h2-8H,9H2,1H3
InChIKeyRBAVNKCVEGKJKO-UHFFFAOYSA-N
XLogP2.36
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 2998592) is 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cn1ccnc1SCc1cn2ccccc2n1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is RBAVNKCVEGKJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-15-7-5-13-12(15)17-9-10-8-16-6-3-2-4-11(16)14-10/h2-8H,9H2,1H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 244.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 2998592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).