3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C14H10BrN7S — CID 1391204

IUPAC3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESBrc1c(CSc2nnnn2-c2ccccc2)nc2ncccn12
InChIInChI=1S/C14H10BrN7S/c15-12-11(17-13-16-7-4-8-21(12)13)9-23-14-18-19-20-22(14)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyLRNBBSLZRDYHKI-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.76
Rot. Bonds4

About 3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 1391204) has the molecular formula C14H10BrN7S and a molecular weight of 388.25 g/mol. Its IUPAC name is 3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID1391204
Molecular FormulaC14H10BrN7S
Molecular Weight388.25 g/mol
Exact Mass386.99
IUPAC Name3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESBrc1c(CSc2nnnn2-c2ccccc2)nc2ncccn12
InChIInChI=1S/C14H10BrN7S/c15-12-11(17-13-16-7-4-8-21(12)13)9-23-14-18-19-20-22(14)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyLRNBBSLZRDYHKI-UHFFFAOYSA-N
XLogP2.76
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-bromo-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 658776
5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
CID 1414498
3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 687533
3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 1384710
3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3731510
5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 115622292
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine
CID 4839922
2-chloro-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 62047182
4-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 91144824
2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 578136
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 1391204) is 3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Brc1c(CSc2nnnn2-c2ccccc2)nc2ncccn12.
What is the InChIKey of 3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is LRNBBSLZRDYHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN7S/c15-12-11(17-13-16-7-4-8-21(12)13)9-23-14-18-19-20-22(14)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 388.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 1391204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).