diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium

C21H27N4O2+ — CID 7423926

IUPACdiethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(NC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H26N4O2/c1-3-24(4-2)14-15-25-19-13-9-8-12-18(19)22-21(25)23-20(26)16-27-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,23,26)/p+1
InChIKeyCAQVCQBSYMEKQO-UHFFFAOYSA-O
MW367.47 g/mol
LogP1.98
Rot. Bonds9

About diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium

diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium (PubChem CID 7423926) has the molecular formula C21H27N4O2+ and a molecular weight of 367.47 g/mol. Its IUPAC name is diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium
PubChem CID7423926
Molecular FormulaC21H27N4O2+
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Namediethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(NC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H26N4O2/c1-3-24(4-2)14-15-25-19-13-9-8-12-18(19)22-21(25)23-20(26)16-27-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,23,26)/p+1
InChIKeyCAQVCQBSYMEKQO-UHFFFAOYSA-O
XLogP1.98
TPSA60.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
2-(3-nitrophenoxy)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 46686317
3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 8914517
2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide
CID 53063129
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
2-amino-N-(1-ethylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119265457
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
2-[[[1-[2-(diethylazaniumyl)ethyl]benzimidazol-2-yl]amino]methyl]phenolate
CID 1399055
2-[2-[[4-(diethylamino)phenyl]methylamino]benzimidazol-1-yl]ethyl-diethylazanium
CID 7010805
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium?
The IUPAC name of diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium (CID 7423926) is diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium?
The canonical SMILES for diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium is CC[NH+](CC)CCn1c(NC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium?
The InChIKey is CAQVCQBSYMEKQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N4O2/c1-3-24(4-2)14-15-25-19-13-9-8-12-18(19)22-21(25)23-20(26)16-27-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,22,23,26)/p+1.
What are the key properties of diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium?
diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium has a molecular weight of 367.47 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[2-[(2-phenoxyacetyl)amino]benzimidazol-1-yl]ethyl]azanium is sourced from PubChem (CID 7423926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).