2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole

C23H30N6 — CID 127733592

IUPAC2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
SMILESCCc1nc2ccccc2n1C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C23H30N6/c1-2-21-26-19-8-4-5-9-20(19)29(21)18-10-14-28(15-11-18)23-16-22(24-17-25-23)27-12-6-3-7-13-27/h4-5,8-9,16-18H,2-3,6-7,10-15H2,1H3
InChIKeyGRPMJTMXGHPQCB-UHFFFAOYSA-N
MW390.54 g/mol
LogP4.22
Rot. Bonds4

About 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole

2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole (PubChem CID 127733592) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
PubChem CID127733592
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
SMILESCCc1nc2ccccc2n1C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C23H30N6/c1-2-21-26-19-8-4-5-9-20(19)29(21)18-10-14-28(15-11-18)23-16-22(24-17-25-23)27-12-6-3-7-13-27/h4-5,8-9,16-18H,2-3,6-7,10-15H2,1H3
InChIKeyGRPMJTMXGHPQCB-UHFFFAOYSA-N
XLogP4.22
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole?
The IUPAC name of 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole (CID 127733592) is 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole is CCc1nc2ccccc2n1C1CCN(c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole?
The InChIKey is GRPMJTMXGHPQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-2-21-26-19-8-4-5-9-20(19)29(21)18-10-14-28(15-11-18)23-16-22(24-17-25-23)27-12-6-3-7-13-27/h4-5,8-9,16-18H,2-3,6-7,10-15H2,1H3.
What are the key properties of 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole?
2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole has a molecular weight of 390.54 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole is sourced from PubChem (CID 127733592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).