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

C13H10ClN3S — CID 694267

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESClc1ccc(SCc2cn3cccnc3n2)cc1
InChIInChI=1S/C13H10ClN3S/c14-10-2-4-12(5-3-10)18-9-11-8-17-7-1-6-15-13(17)16-11/h1-8H,9H2
InChIKeyCZXPVQYPVHIIPS-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.67
Rot. Bonds3

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

2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 694267) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID694267
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESClc1ccc(SCc2cn3cccnc3n2)cc1
InChIInChI=1S/C13H10ClN3S/c14-10-2-4-12(5-3-10)18-9-11-8-17-7-1-6-15-13(17)16-11/h1-8H,9H2
InChIKeyCZXPVQYPVHIIPS-UHFFFAOYSA-N
XLogP3.67
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 694267) is 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Clc1ccc(SCc2cn3cccnc3n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is CZXPVQYPVHIIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-10-2-4-12(5-3-10)18-9-11-8-17-7-1-6-15-13(17)16-11/h1-8H,9H2.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 275.76 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 694267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).