2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride

C24H43ClN4O — CID 52997650

IUPAC2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
SMILESCl.[H]/N=c1/n(CCN(CC)CC)c2ccccc2n1COCCCCCCCCCC
InChIInChI=1S/C24H42N4O.ClH/c1-4-7-8-9-10-11-12-15-20-29-21-28-23-17-14-13-16-22(23)27(24(28)25)19-18-26(5-2)6-3;/h13-14,16-17,25H,4-12,15,18-21H2,1-3H3;1H/b25-24-;
InChIKeyQQZWDKSHMFZIJM-BJFQDICYSA-N
MW439.09 g/mol
LogP5.80
Rot. Bonds16

About 2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride

2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride (PubChem CID 52997650) has the molecular formula C24H43ClN4O and a molecular weight of 439.09 g/mol. Its IUPAC name is 2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
PubChem CID52997650
Molecular FormulaC24H43ClN4O
Molecular Weight439.09 g/mol
Exact Mass438.31
IUPAC Name2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
SMILESCl.[H]/N=c1/n(CCN(CC)CC)c2ccccc2n1COCCCCCCCCCC
InChIInChI=1S/C24H42N4O.ClH/c1-4-7-8-9-10-11-12-15-20-29-21-28-23-17-14-13-16-22(23)27(24(28)25)19-18-26(5-2)6-3;/h13-14,16-17,25H,4-12,15,18-21H2,1-3H3;1H/b25-24-;
InChIKeyQQZWDKSHMFZIJM-BJFQDICYSA-N
XLogP5.80
TPSA46.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.09
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride?
The IUPAC name of 2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride (CID 52997650) is 2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride.
What is the SMILES notation for 2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride?
The canonical SMILES for 2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride is Cl.[H]/N=c1/n(CCN(CC)CC)c2ccccc2n1COCCCCCCCCCC.
What is the InChIKey of 2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride?
The InChIKey is QQZWDKSHMFZIJM-BJFQDICYSA-N. The full InChI is InChI=1S/C24H42N4O.ClH/c1-4-7-8-9-10-11-12-15-20-29-21-28-23-17-14-13-16-22(23)27(24(28)25)19-18-26(5-2)6-3;/h13-14,16-17,25H,4-12,15,18-21H2,1-3H3;1H/b25-24-;.
What are the key properties of 2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride?
2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride has a molecular weight of 439.09 g/mol, XLogP of 5.80, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride is sourced from PubChem (CID 52997650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).