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

C20H21N3O2 — CID 110692348

IUPAC5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N3O2/c24-19(16-6-7-17-18(13-16)22-20(25)21-17)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H2,21,22,25)
InChIKeyHKROHHNCITVYFA-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.95
Rot. Bonds3

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

5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 110692348) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID110692348
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N3O2/c24-19(16-6-7-17-18(13-16)22-20(25)21-17)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H2,21,22,25)
InChIKeyHKROHHNCITVYFA-UHFFFAOYSA-N
XLogP2.95
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541158
1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione
CID 138530082
5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 136578028
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 166254479
5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 14678964
3-(4-benzylpiperidine-1-carbonyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one;ethane
CID 163281888

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 110692348) is 5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HKROHHNCITVYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(16-6-7-17-18(13-16)22-20(25)21-17)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H2,21,22,25).
What are the key properties of 5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110692348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).