4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one

C16H16N6O2 — CID 110701217

IUPAC4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1cccc2[nH]c(=O)[nH]c12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H16N6O2/c23-14(11-3-1-4-12-13(11)20-16(24)19-12)21-7-9-22(10-8-21)15-17-5-2-6-18-15/h1-6H,7-10H2,(H2,19,20,24)
InChIKeyKAGVAMSPNGANPT-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.61
Rot. Bonds2

About 4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one

4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 110701217) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID110701217
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1cccc2[nH]c(=O)[nH]c12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H16N6O2/c23-14(11-3-1-4-12-13(11)20-16(24)19-12)21-7-9-22(10-8-21)15-17-5-2-6-18-15/h1-6H,7-10H2,(H2,19,20,24)
InChIKeyKAGVAMSPNGANPT-UHFFFAOYSA-N
XLogP0.61
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110701165
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
(2-hydroxy-3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 43824625
4-(3-pyrazol-1-ylpyrrolidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 138005104
(2-methylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707478
(2-hydroxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 112789368
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513842
(2-methyl-1H-indol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737234
1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 110701217) is 4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is O=C(c1cccc2[nH]c(=O)[nH]c12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KAGVAMSPNGANPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c23-14(11-3-1-4-12-13(11)20-16(24)19-12)21-7-9-22(10-8-21)15-17-5-2-6-18-15/h1-6H,7-10H2,(H2,19,20,24).
What are the key properties of 4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 324.34 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110701217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).