5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine

C23H22ClN5 — CID 1472745

IUPAC5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccccc3Cl)CC2)n2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C23H22ClN5/c1-17-15-22(28-13-11-27(12-14-28)21-10-6-5-9-19(21)24)29-16-20(26-23(29)25-17)18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3
InChIKeyMXYNGMIPFOZVCR-UHFFFAOYSA-N
MW403.92 g/mol
LogP4.68
Rot. Bonds3

About 5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine

5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine (PubChem CID 1472745) has the molecular formula C23H22ClN5 and a molecular weight of 403.92 g/mol. Its IUPAC name is 5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine
PubChem CID1472745
Molecular FormulaC23H22ClN5
Molecular Weight403.92 g/mol
Exact Mass403.16
IUPAC Name5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccccc3Cl)CC2)n2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C23H22ClN5/c1-17-15-22(28-13-11-27(12-14-28)21-10-6-5-9-19(21)24)29-16-20(26-23(29)25-17)18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3
InChIKeyMXYNGMIPFOZVCR-UHFFFAOYSA-N
XLogP4.68
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine (CID 1472745) is 5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine is Cc1cc(N2CCN(c3ccccc3Cl)CC2)n2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is MXYNGMIPFOZVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5/c1-17-15-22(28-13-11-27(12-14-28)21-10-6-5-9-19(21)24)29-16-20(26-23(29)25-17)18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine?
5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 403.92 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenyl)piperazin-1-yl]-7-methyl-2-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 1472745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).