1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide

C24H24N6O2 — CID 78892321

IUPAC1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)Nc3nc4ccccc4n3-c3ccccc3)CC2)n1
InChIInChI=1S/C24H24N6O2/c1-32-21-11-14-25-23(27-21)29-15-12-17(13-16-29)22(31)28-24-26-19-9-5-6-10-20(19)30(24)18-7-3-2-4-8-18/h2-11,14,17H,12-13,15-16H2,1H3,(H,26,28,31)
InChIKeyVLBZJHQMZDYOFX-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.68
Rot. Bonds5

About 1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide

1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 78892321) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID78892321
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)Nc3nc4ccccc4n3-c3ccccc3)CC2)n1
InChIInChI=1S/C24H24N6O2/c1-32-21-11-14-25-23(27-21)29-15-12-17(13-16-29)22(31)28-24-26-19-9-5-6-10-20(19)30(24)18-7-3-2-4-8-18/h2-11,14,17H,12-13,15-16H2,1H3,(H,26,28,31)
InChIKeyVLBZJHQMZDYOFX-UHFFFAOYSA-N
XLogP3.68
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 78892321) is 1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide is COc1ccnc(N2CCC(C(=O)Nc3nc4ccccc4n3-c3ccccc3)CC2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is VLBZJHQMZDYOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-32-21-11-14-25-23(27-21)29-15-12-17(13-16-29)22(31)28-24-26-19-9-5-6-10-20(19)30(24)18-7-3-2-4-8-18/h2-11,14,17H,12-13,15-16H2,1H3,(H,26,28,31).
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide?
1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 78892321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).