1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one

C24H26N6O2 — CID 136764000

IUPAC1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CN3CCC(c4cc(=O)[nH]c(-c5ccccn5)n4)CC3)ccc21
InChIInChI=1S/C24H26N6O2/c1-28-20-7-6-16(13-21(20)29(2)24(28)32)15-30-11-8-17(9-12-30)19-14-22(31)27-23(26-19)18-5-3-4-10-25-18/h3-7,10,13-14,17H,8-9,11-12,15H2,1-2H3,(H,26,27,31)
InChIKeyQNOIMGTZDGNVJA-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.40
Rot. Bonds4

About 1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one

1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one (PubChem CID 136764000) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one
PubChem CID136764000
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CN3CCC(c4cc(=O)[nH]c(-c5ccccn5)n4)CC3)ccc21
InChIInChI=1S/C24H26N6O2/c1-28-20-7-6-16(13-21(20)29(2)24(28)32)15-30-11-8-17(9-12-30)19-14-22(31)27-23(26-19)18-5-3-4-10-25-18/h3-7,10,13-14,17H,8-9,11-12,15H2,1-2H3,(H,26,27,31)
InChIKeyQNOIMGTZDGNVJA-UHFFFAOYSA-N
XLogP2.40
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one (CID 136764000) is 1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one is Cn1c(=O)n(C)c2cc(CN3CCC(c4cc(=O)[nH]c(-c5ccccn5)n4)CC3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one?
The InChIKey is QNOIMGTZDGNVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-28-20-7-6-16(13-21(20)29(2)24(28)32)15-30-11-8-17(9-12-30)19-14-22(31)27-23(26-19)18-5-3-4-10-25-18/h3-7,10,13-14,17H,8-9,11-12,15H2,1-2H3,(H,26,27,31).
What are the key properties of 1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one?
1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one has a molecular weight of 430.51 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 136764000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).