1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium

C22H28N5O+ — CID 14783732

IUPAC1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium
SMILESCCOc1ccc(Cc2nc3cc([N+]#N)ccc3n2CCN(CC)CC)cc1
InChIInChI=1S/C22H28N5O/c1-4-26(5-2)13-14-27-21-12-9-18(25-23)16-20(21)24-22(27)15-17-7-10-19(11-8-17)28-6-3/h7-12,16H,4-6,13-15H2,1-3H3/q+1
InChIKeyMSXQHUDFYMEGJM-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.85
Rot. Bonds9

About 1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium

1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium (PubChem CID 14783732) has the molecular formula C22H28N5O+ and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium
PubChem CID14783732
Molecular FormulaC22H28N5O+
Molecular Weight378.50 g/mol
Exact Mass378.23
IUPAC Name1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium
SMILESCCOc1ccc(Cc2nc3cc([N+]#N)ccc3n2CCN(CC)CC)cc1
InChIInChI=1S/C22H28N5O/c1-4-26(5-2)13-14-27-21-12-9-18(25-23)16-20(21)24-22(27)15-17-7-10-19(11-8-17)28-6-3/h7-12,16H,4-6,13-15H2,1-3H3/q+1
InChIKeyMSXQHUDFYMEGJM-UHFFFAOYSA-N
XLogP4.85
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Astemizole
CID 2247
Etonitazene
CID 13493
Bisbenzimide
CID 1464
Varoglutamstat
CID 51030870
Protonitazene
CID 156589001
Etodesnitazene
CID 149797386
Metonitazene
CID 53316366
Metodesnitazene
CID 26412
N,N-Diethyl-2-((4-(1-methylethoxy)phenyl)methyl)-5-nitro-1H-benzimidazole-1-ethanamine
CID 145721979
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-amine
CID 9883372
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium?
The IUPAC name of 1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium (CID 14783732) is 1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium is CCOc1ccc(Cc2nc3cc([N+]#N)ccc3n2CCN(CC)CC)cc1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium?
The InChIKey is MSXQHUDFYMEGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N5O/c1-4-26(5-2)13-14-27-21-12-9-18(25-23)16-20(21)24-22(27)15-17-7-10-19(11-8-17)28-6-3/h7-12,16H,4-6,13-15H2,1-3H3/q+1.
What are the key properties of 1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium?
1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium has a molecular weight of 378.50 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazole-5-diazonium is sourced from PubChem (CID 14783732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).