4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

C16H18N6O — CID 138019808

IUPAC4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cncnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
InChIInChI=1S/C16H18N6O/c1-11-9-17-10-18-15(11)22-7-5-21(6-8-22)13-4-2-3-12-14(13)20-16(23)19-12/h2-4,9-10H,5-8H2,1H3,(H2,19,20,23)
InChIKeyJBMHPTFXQWLVFK-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.28
Rot. Bonds2

About 4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 138019808) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID138019808
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cncnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1
InChIInChI=1S/C16H18N6O/c1-11-9-17-10-18-15(11)22-7-5-21(6-8-22)13-4-2-3-12-14(13)20-16(23)19-12/h2-4,9-10H,5-8H2,1H3,(H2,19,20,23)
InChIKeyJBMHPTFXQWLVFK-UHFFFAOYSA-N
XLogP1.28
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (CID 138019808) is 4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is Cc1cncnc1N1CCN(c2cccc3[nH]c(=O)[nH]c23)CC1.
What is the InChIKey of 4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JBMHPTFXQWLVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-9-17-10-18-15(11)22-7-5-21(6-8-22)13-4-2-3-12-14(13)20-16(23)19-12/h2-4,9-10H,5-8H2,1H3,(H2,19,20,23).
What are the key properties of 4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 310.36 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 138019808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).