1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium

C19H26N5+ — CID 142755352

IUPAC1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium
SMILESCCn1c[n+](CC)c2ccc(-c3cnn(C4CCNCC4)c3)cc21
InChIInChI=1S/C19H26N5/c1-3-22-14-23(4-2)19-11-15(5-6-18(19)22)16-12-21-24(13-16)17-7-9-20-10-8-17/h5-6,11-14,17,20H,3-4,7-10H2,1-2H3/q+1
InChIKeyXOLSTOCVHQFFET-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.76
Rot. Bonds4

About 1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium

1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium (PubChem CID 142755352) has the molecular formula C19H26N5+ and a molecular weight of 324.45 g/mol. Its IUPAC name is 1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium.

Molecular Properties

Compound Name1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium
PubChem CID142755352
Molecular FormulaC19H26N5+
Molecular Weight324.45 g/mol
Exact Mass324.22
IUPAC Name1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium
SMILESCCn1c[n+](CC)c2ccc(-c3cnn(C4CCNCC4)c3)cc21
InChIInChI=1S/C19H26N5/c1-3-22-14-23(4-2)19-11-15(5-6-18(19)22)16-12-21-24(13-16)17-7-9-20-10-8-17/h5-6,11-14,17,20H,3-4,7-10H2,1-2H3/q+1
InChIKeyXOLSTOCVHQFFET-UHFFFAOYSA-N
XLogP2.76
TPSA38.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine
CID 144886075
2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidine;2,2,2-trifluoroacetic acid
CID 118227135
N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine
CID 174709101
1-[(2-chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)indole
CID 91027344
6-(1-piperidin-4-ylpyrazol-4-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolo[3,2-b]pyridine
CID 58532301
1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532470
methyl-methylidene-[4-[[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]oxymethyl]phenyl]phosphanium
CID 91377064
2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-propyl-1,3-benzoxazol-6-amine
CID 70688055
6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 158564904
methyl 2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxylate
CID 67388698
3-[(2-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 162656396
3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 175975741

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium?
The IUPAC name of 1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium (CID 142755352) is 1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium.
What is the SMILES notation for 1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium?
The canonical SMILES for 1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium is CCn1c[n+](CC)c2ccc(-c3cnn(C4CCNCC4)c3)cc21.
What is the InChIKey of 1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium?
The InChIKey is XOLSTOCVHQFFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N5/c1-3-22-14-23(4-2)19-11-15(5-6-18(19)22)16-12-21-24(13-16)17-7-9-20-10-8-17/h5-6,11-14,17,20H,3-4,7-10H2,1-2H3/q+1.
What are the key properties of 1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium?
1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium has a molecular weight of 324.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-(1-piperidin-4-ylpyrazol-4-yl)benzimidazol-1-ium is sourced from PubChem (CID 142755352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).