5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one

C19H20N4O2 — CID 110692320

IUPAC5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c24-18(15-6-7-16-17(12-15)21-19(25)20-16)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,20,21,25)
InChIKeyNDFNIFJFVGPNSV-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.81
Rot. Bonds3

About 5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one

5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 110692320) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID110692320
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c24-18(15-6-7-16-17(12-15)21-19(25)20-16)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,20,21,25)
InChIKeyNDFNIFJFVGPNSV-UHFFFAOYSA-N
XLogP1.81
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792
4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110400210
5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 110802098
(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
CID 110765544
5-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110807796
5-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815622
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
7-(4-benzylpiperazine-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27671511
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
(4-benzyl-1,4-diazepan-1-yl)-(3,4-dichlorophenyl)methanone
CID 23969197
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 110692320) is 5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NDFNIFJFVGPNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(15-6-7-16-17(12-15)21-19(25)20-16)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H2,20,21,25).
What are the key properties of 5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 336.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110692320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).