4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine

C22H23N7 — CID 19139393

IUPAC4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine
SMILESNc1c(N2CCN(Cc3ccccc3)CC2)ncnc1-n1cnc2ccccc21
InChIInChI=1S/C22H23N7/c23-20-21(28-12-10-27(11-13-28)14-17-6-2-1-3-7-17)24-15-25-22(20)29-16-26-18-8-4-5-9-19(18)29/h1-9,15-16H,10-14,23H2
InChIKeyAAPSDFIFWJHELY-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.72
Rot. Bonds4

About 4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine

4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 19139393) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID19139393
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine
SMILESNc1c(N2CCN(Cc3ccccc3)CC2)ncnc1-n1cnc2ccccc21
InChIInChI=1S/C22H23N7/c23-20-21(28-12-10-27(11-13-28)14-17-6-2-1-3-7-17)24-15-25-22(20)29-16-26-18-8-4-5-9-19(18)29/h1-9,15-16H,10-14,23H2
InChIKeyAAPSDFIFWJHELY-UHFFFAOYSA-N
XLogP2.72
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine (CID 19139393) is 4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine is Nc1c(N2CCN(Cc3ccccc3)CC2)ncnc1-n1cnc2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is AAPSDFIFWJHELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c23-20-21(28-12-10-27(11-13-28)14-17-6-2-1-3-7-17)24-15-25-22(20)29-16-26-18-8-4-5-9-19(18)29/h1-9,15-16H,10-14,23H2.
What are the key properties of 4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine?
4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 385.48 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19139393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).