3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C13H9BrClN3S — CID 1384710

IUPAC3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESClc1ccc(SCc2nc3ncccn3c2Br)cc1
InChIInChI=1S/C13H9BrClN3S/c14-12-11(17-13-16-6-1-7-18(12)13)8-19-10-4-2-9(15)3-5-10/h1-7H,8H2
InChIKeyGZQWYCDIAJTSSK-UHFFFAOYSA-N
MW354.66 g/mol
LogP4.44
Rot. Bonds3

About 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 1384710) has the molecular formula C13H9BrClN3S and a molecular weight of 354.66 g/mol. Its IUPAC name is 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID1384710
Molecular FormulaC13H9BrClN3S
Molecular Weight354.66 g/mol
Exact Mass352.94
IUPAC Name3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESClc1ccc(SCc2nc3ncccn3c2Br)cc1
InChIInChI=1S/C13H9BrClN3S/c14-12-11(17-13-16-6-1-7-18(12)13)8-19-10-4-2-9(15)3-5-10/h1-7H,8H2
InChIKeyGZQWYCDIAJTSSK-UHFFFAOYSA-N
XLogP4.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.66
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 1384710) is 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Clc1ccc(SCc2nc3ncccn3c2Br)cc1.
What is the InChIKey of 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is GZQWYCDIAJTSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3S/c14-12-11(17-13-16-6-1-7-18(12)13)8-19-10-4-2-9(15)3-5-10/h1-7H,8H2.
What are the key properties of 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 354.66 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 1384710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).