2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride

C23H33ClN4O3 — CID 44658914

IUPAC2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride
SMILES[Cl-].[H]/N=c1\n(CC[NH+](CC)CC)c2ccccc2n1CC(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H32N4O3.ClH/c1-5-25(6-2)13-14-26-18-9-7-8-10-19(18)27(23(26)24)16-20(28)17-11-12-21(29-3)22(15-17)30-4;/h7-12,15,20,24,28H,5-6,13-14,16H2,1-4H3;1H/b24-23+;
InChIKeyMPCAZYMUTHTKLH-XMXXDQCKSA-N
MW449.00 g/mol
LogP-1.40
Rot. Bonds10

About 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride

2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride (PubChem CID 44658914) has the molecular formula C23H33ClN4O3 and a molecular weight of 449.00 g/mol. Its IUPAC name is 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride
PubChem CID44658914
Molecular FormulaC23H33ClN4O3
Molecular Weight449.00 g/mol
Exact Mass448.22
IUPAC Name2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride
SMILES[Cl-].[H]/N=c1\n(CC[NH+](CC)CC)c2ccccc2n1CC(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H32N4O3.ClH/c1-5-25(6-2)13-14-26-18-9-7-8-10-19(18)27(23(26)24)16-20(28)17-11-12-21(29-3)22(15-17)30-4;/h7-12,15,20,24,28H,5-6,13-14,16H2,1-4H3;1H/b24-23+;
InChIKeyMPCAZYMUTHTKLH-XMXXDQCKSA-N
XLogP-1.40
TPSA76.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.00
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-(3,4-dimethoxyphenyl)-2-(3-hexadecyl-2-iminobenzimidazol-1-yl)ethanol
CID 98130219
(1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 1002768
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
CID 5218920
1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
CID 2868453
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
CID 3123763
(1S)-1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol
CID 1121224
(1R)-1-(4-chlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol
CID 791772
(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol
CID 1111782
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol chloride
CID 53346962
1-(3,4-dimethoxyphenyl)-2-(2-ethyl-3-prop-2-enylindol-1-yl)ethanol
CID 12025048
1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 3123773
(1R)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(3,4-dichlorophenyl)ethanol
CID 1121192

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride?
The IUPAC name of 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride (CID 44658914) is 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride.
What is the SMILES notation for 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride?
The canonical SMILES for 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride is [Cl-].[H]/N=c1\n(CC[NH+](CC)CC)c2ccccc2n1CC(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride?
The InChIKey is MPCAZYMUTHTKLH-XMXXDQCKSA-N. The full InChI is InChI=1S/C23H32N4O3.ClH/c1-5-25(6-2)13-14-26-18-9-7-8-10-19(18)27(23(26)24)16-20(28)17-11-12-21(29-3)22(15-17)30-4;/h7-12,15,20,24,28H,5-6,13-14,16H2,1-4H3;1H/b24-23+;.
What are the key properties of 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride?
2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride has a molecular weight of 449.00 g/mol, XLogP of -1.40, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride is sourced from PubChem (CID 44658914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).