3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride

C19H28Cl2N4O — CID 21076275

IUPAC3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]c2ccccc2n1C1CCN(CCC2=CCNCC2)CC1
InChIInChI=1S/C19H26N4O.2ClH/c24-19-21-17-3-1-2-4-18(17)23(19)16-8-13-22(14-9-16)12-7-15-5-10-20-11-6-15;;/h1-5,16,20H,6-14H2,(H,21,24);2*1H
InChIKeyUNUNWWWADXKSPJ-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.12
Rot. Bonds4

About 3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride

3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride (PubChem CID 21076275) has the molecular formula C19H28Cl2N4O and a molecular weight of 399.37 g/mol. Its IUPAC name is 3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride.

Molecular Properties

Compound Name3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride
PubChem CID21076275
Molecular FormulaC19H28Cl2N4O
Molecular Weight399.37 g/mol
Exact Mass398.16
IUPAC Name3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]c2ccccc2n1C1CCN(CCC2=CCNCC2)CC1
InChIInChI=1S/C19H26N4O.2ClH/c24-19-21-17-3-1-2-4-18(17)23(19)16-8-13-22(14-9-16)12-7-15-5-10-20-11-6-15;;/h1-5,16,20H,6-14H2,(H,21,24);2*1H
InChIKeyUNUNWWWADXKSPJ-UHFFFAOYSA-N
XLogP3.12
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
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3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12763869
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
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3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968462
3-[1-[2-(3,4-dihydroxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrobromide
CID 12811312
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 18187410
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
3-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968593
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]propane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride?
The IUPAC name of 3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride (CID 21076275) is 3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride.
What is the SMILES notation for 3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride?
The canonical SMILES for 3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride is Cl.Cl.O=c1[nH]c2ccccc2n1C1CCN(CCC2=CCNCC2)CC1.
What is the InChIKey of 3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride?
The InChIKey is UNUNWWWADXKSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.2ClH/c24-19-21-17-3-1-2-4-18(17)23(19)16-8-13-22(14-9-16)12-7-15-5-10-20-11-6-15;;/h1-5,16,20H,6-14H2,(H,21,24);2*1H.
What are the key properties of 3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride?
3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride has a molecular weight of 399.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride is sourced from PubChem (CID 21076275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).