5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one

C20H20N4O3 — CID 110802098

IUPAC5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O3/c25-18(13-14-6-7-16-17(12-14)22-20(27)21-16)23-8-10-24(11-9-23)19(26)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H2,21,22,27)
InChIKeyNSXSZWIEXBXDIM-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.38
Rot. Bonds3

About 5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one

5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 110802098) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID110802098
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H20N4O3/c25-18(13-14-6-7-16-17(12-14)22-20(27)21-16)23-8-10-24(11-9-23)19(26)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H2,21,22,27)
InChIKeyNSXSZWIEXBXDIM-UHFFFAOYSA-N
XLogP1.38
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 110772125
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
5-[4-[2-(1H-pyrrol-2-yl)acetyl]piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815753
N-tert-butyl-4-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813939
5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110400181
5-(2-oxo-3-phenylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 158499935
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
6-[4-(2-phenylacetyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110400141
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110400210
5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 138035514

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one (CID 110802098) is 5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one is O=C(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NSXSZWIEXBXDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-18(13-14-6-7-16-17(12-14)22-20(27)21-16)23-8-10-24(11-9-23)19(26)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H2,21,22,27).
What are the key properties of 5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 364.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110802098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).