1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol

C29H32N8O — CID 10391554

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol
SMILESCc1nccn1-c1ncnc2c1ncn2CC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H32N8O/c1-22-30-12-13-37(22)29-26-28(31-20-32-29)36(21-33-26)19-25(38)18-34-14-16-35(17-15-34)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,20-21,25,27,38H,14-19H2,1H3
InChIKeyLPHDCIWVOPKFOI-UHFFFAOYSA-N
MW508.63 g/mol
LogP3.09
Rot. Bonds8

About 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol

1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol (PubChem CID 10391554) has the molecular formula C29H32N8O and a molecular weight of 508.63 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol
PubChem CID10391554
Molecular FormulaC29H32N8O
Molecular Weight508.63 g/mol
Exact Mass508.27
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol
SMILESCc1nccn1-c1ncnc2c1ncn2CC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H32N8O/c1-22-30-12-13-37(22)29-26-28(31-20-32-29)36(21-33-26)19-25(38)18-34-14-16-35(17-15-34)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,20-21,25,27,38H,14-19H2,1H3
InChIKeyLPHDCIWVOPKFOI-UHFFFAOYSA-N
XLogP3.09
TPSA88.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol with MolForge

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Related Compounds

Fadraciclib
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(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
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3-(6-Amino-purin-9-yl)-7-phenyl-heptan-2-ol
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2-((6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl)amino)ethan-1-ol
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CID 6538915
(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
CID 9842276
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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol (CID 10391554) is 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol is Cc1nccn1-c1ncnc2c1ncn2CC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol?
The InChIKey is LPHDCIWVOPKFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O/c1-22-30-12-13-37(22)29-26-28(31-20-32-29)36(21-33-26)19-25(38)18-34-14-16-35(17-15-34)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,20-21,25,27,38H,14-19H2,1H3.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol?
1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol has a molecular weight of 508.63 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3-[6-(2-methylimidazol-1-yl)purin-9-yl]propan-2-ol is sourced from PubChem (CID 10391554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).