N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine

C16H26N4O — CID 3708981

IUPACN,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine
SMILES[H]/N=c1\n(CCOC)c2ccccc2n1CCN(CC)CC
InChIInChI=1S/C16H26N4O/c1-4-18(5-2)10-11-19-14-8-6-7-9-15(14)20(16(19)17)12-13-21-3/h6-9,17H,4-5,10-13H2,1-3H3/b17-16-
InChIKeyPHSICOARUNALAZ-MSUUIHNZSA-N
MW290.41 g/mol
LogP1.91
Rot. Bonds8

About N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine

N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine (PubChem CID 3708981) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine
PubChem CID3708981
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine
SMILES[H]/N=c1\n(CCOC)c2ccccc2n1CCN(CC)CC
InChIInChI=1S/C16H26N4O/c1-4-18(5-2)10-11-19-14-8-6-7-9-15(14)20(16(19)17)12-13-21-3/h6-9,17H,4-5,10-13H2,1-3H3/b17-16-
InChIKeyPHSICOARUNALAZ-MSUUIHNZSA-N
XLogP1.91
TPSA46.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(4-bromophenoxy)ethyl]-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrobromide
CID 146051177
2-[3-(decoxymethyl)-2-iminobenzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
CID 52997650
N,N-diethyl-2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]ethanamine
CID 91972354
(1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 1002768
2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone
CID 1354983
(1S)-1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanol
CID 1121224
1-(1-adamantyl)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]ethanone
CID 2839441
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine
CID 2984680
3-[(3,4-dichlorophenyl)methyl]-1-[2-(diethylamino)ethyl]-2-iminoquinazolin-4-one
CID 23791451
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879
1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine (CID 3708981) is N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine is [H]/N=c1\n(CCOC)c2ccccc2n1CCN(CC)CC.
What is the InChIKey of N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine?
The InChIKey is PHSICOARUNALAZ-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-18(5-2)10-11-19-14-8-6-7-9-15(14)20(16(19)17)12-13-21-3/h6-9,17H,4-5,10-13H2,1-3H3/b17-16-.
What are the key properties of N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine?
N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 3708981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).