5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one

C16H18N6O — CID 22432880

IUPAC5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(Nc3cc(N4CCCCC4)ncn3)cc2[nH]1
InChIInChI=1S/C16H18N6O/c23-16-20-12-5-4-11(8-13(12)21-16)19-14-9-15(18-10-17-14)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,17,18,19)(H2,20,21,23)
InChIKeyZUAJBMLRCSWPBM-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.38
Rot. Bonds3

About 5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one

5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 22432880) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID22432880
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(Nc3cc(N4CCCCC4)ncn3)cc2[nH]1
InChIInChI=1S/C16H18N6O/c23-16-20-12-5-4-11(8-13(12)21-16)19-14-9-15(18-10-17-14)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,17,18,19)(H2,20,21,23)
InChIKeyZUAJBMLRCSWPBM-UHFFFAOYSA-N
XLogP2.38
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one (CID 22432880) is 5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(Nc3cc(N4CCCCC4)ncn3)cc2[nH]1.
What is the InChIKey of 5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZUAJBMLRCSWPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-16-20-12-5-4-11(8-13(12)21-16)19-14-9-15(18-10-17-14)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,17,18,19)(H2,20,21,23).
What are the key properties of 5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one?
5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 310.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 22432880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).