diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium

C16H25N4O2+ — CID 5029619

IUPACdiethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium
SMILES[H]/N=c1\n(CC[NH+](CC)CC)c2ccccc2n1CC(=O)OC
InChIInChI=1S/C16H24N4O2/c1-4-18(5-2)10-11-19-13-8-6-7-9-14(13)20(16(19)17)12-15(21)22-3/h6-9,17H,4-5,10-12H2,1-3H3/p+1/b17-16+
InChIKeyRPQDYFHQCKXMFR-WUKNDPDISA-O
MW305.40 g/mol
LogP0.02
Rot. Bonds7

About diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium

diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium (PubChem CID 5029619) has the molecular formula C16H25N4O2+ and a molecular weight of 305.40 g/mol. Its IUPAC name is diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium
PubChem CID5029619
Molecular FormulaC16H25N4O2+
Molecular Weight305.40 g/mol
Exact Mass305.20
IUPAC Namediethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium
SMILES[H]/N=c1\n(CC[NH+](CC)CC)c2ccccc2n1CC(=O)OC
InChIInChI=1S/C16H24N4O2/c1-4-18(5-2)10-11-19-13-8-6-7-9-14(13)20(16(19)17)12-15(21)22-3/h6-9,17H,4-5,10-12H2,1-3H3/p+1/b17-16+
InChIKeyRPQDYFHQCKXMFR-WUKNDPDISA-O
XLogP0.02
TPSA64.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium with MolForge

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Related Compounds

hydron;methyl 2-(3-ethyl-2-iminobenzimidazol-1-yl)acetate;bromide
CID 658288
methyl 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]acetate
CID 780689
diethyl-[2-[3-[2-(furan-2-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride
CID 44658221
methyl 2-[2-(2-imino-3-propylbenzimidazol-1-yl)acetyl]benzoate;hydrobromide
CID 44889409
methyl 2-[4-[2-(3-hexadecyl-2-iminobenzimidazol-1-yl)acetyl]phenoxy]acetate
CID 3254270
ethyl 2-[3-[2-(4-bromophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetate
CID 3421166
ethyl 2-[2-imino-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-yl]acetate
CID 35215833
methyl 2-carbazol-9-ylacetate
CID 3745219
1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone
CID 118052875
methyl 2-[2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]benzoate;hydrobromide
CID 44889413
2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
CID 2857928
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
CID 2851129

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium?
The IUPAC name of diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium (CID 5029619) is diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium?
The canonical SMILES for diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium is [H]/N=c1\n(CC[NH+](CC)CC)c2ccccc2n1CC(=O)OC.
What is the InChIKey of diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium?
The InChIKey is RPQDYFHQCKXMFR-WUKNDPDISA-O. The full InChI is InChI=1S/C16H24N4O2/c1-4-18(5-2)10-11-19-13-8-6-7-9-14(13)20(16(19)17)12-15(21)22-3/h6-9,17H,4-5,10-12H2,1-3H3/p+1/b17-16+.
What are the key properties of diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium?
diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium has a molecular weight of 305.40 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[2-imino-3-(2-methoxy-2-oxoethyl)benzimidazol-1-yl]ethyl]azanium is sourced from PubChem (CID 5029619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).