4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one

C18H20N4O — CID 18414156

IUPAC4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(N3CCN(Cc4ccccc4)CC3)c2[nH]1
InChIInChI=1S/C18H20N4O/c23-18-19-15-7-4-8-16(17(15)20-18)22-11-9-21(10-12-22)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H2,19,20,23)
InChIKeyMKJHGVZTPBBKML-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.18
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one

4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 18414156) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID18414156
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(N3CCN(Cc4ccccc4)CC3)c2[nH]1
InChIInChI=1S/C18H20N4O/c23-18-19-15-7-4-8-16(17(15)20-18)22-11-9-21(10-12-22)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H2,19,20,23)
InChIKeyMKJHGVZTPBBKML-UHFFFAOYSA-N
XLogP2.18
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one (CID 18414156) is 4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cccc(N3CCN(Cc4ccccc4)CC3)c2[nH]1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MKJHGVZTPBBKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18-19-15-7-4-8-16(17(15)20-18)22-11-9-21(10-12-22)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H2,19,20,23).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one?
4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 18414156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).