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

C12H11BrN4S — CID 3000090

IUPAC6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCn1ccnc1SCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C12H11BrN4S/c1-16-5-4-14-12(16)18-8-10-7-17-6-9(13)2-3-11(17)15-10/h2-7H,8H2,1H3
InChIKeyAXCWVBQRHXIMPN-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.12
Rot. Bonds3

About 6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 3000090) has the molecular formula C12H11BrN4S and a molecular weight of 323.22 g/mol. Its IUPAC name is 6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID3000090
Molecular FormulaC12H11BrN4S
Molecular Weight323.22 g/mol
Exact Mass321.99
IUPAC Name6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCn1ccnc1SCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C12H11BrN4S/c1-16-5-4-14-12(16)18-8-10-7-17-6-9(13)2-3-11(17)15-10/h2-7H,8H2,1H3
InChIKeyAXCWVBQRHXIMPN-UHFFFAOYSA-N
XLogP3.12
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 914229
2-(5-Bromo-2-thienyl)imidazo[1,2-a]pyridine
CID 711734
6-Bromo-3-methylimidazo(1,2-a)pyridine
CID 23537418
3-Bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 3388975
5-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 4882807
4-(6-Bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 58221661
2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine
CID 2044869
4-(2-Methyl-imidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamine
CID 3104403
6-bromo-N-tert-butyl-2-methyl-3-imidazo[1,2-a]pyridinamine
CID 650748
2-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}imidazo[1,2-a]pyridine
CID 658806
5-methyl-2-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)imidazo[1,2-a]pyridine
CID 658945
3-[(3-Bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
CID 2997629

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 3000090) is 6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cn1ccnc1SCc1cn2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is AXCWVBQRHXIMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4S/c1-16-5-4-14-12(16)18-8-10-7-17-6-9(13)2-3-11(17)15-10/h2-7H,8H2,1H3.
What are the key properties of 6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 323.22 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 3000090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).