1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine

C20H25N3O2 — CID 51087630

IUPAC1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCn1c(CNC(C)c2cc(OC)ccc2OC)nc2ccccc21
InChIInChI=1S/C20H25N3O2/c1-5-23-18-9-7-6-8-17(18)22-20(23)13-21-14(2)16-12-15(24-3)10-11-19(16)25-4/h6-12,14,21H,5,13H2,1-4H3
InChIKeyBNXFXWPKMOVAKS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.92
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine

1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 51087630) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID51087630
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCn1c(CNC(C)c2cc(OC)ccc2OC)nc2ccccc21
InChIInChI=1S/C20H25N3O2/c1-5-23-18-9-7-6-8-17(18)22-20(23)13-21-14(2)16-12-15(24-3)10-11-19(16)25-4/h6-12,14,21H,5,13H2,1-4H3
InChIKeyBNXFXWPKMOVAKS-UHFFFAOYSA-N
XLogP3.92
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 60601044
1-ethyl-2-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide
CID 40718282
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
(1S)-1-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94032041
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
1-(2,5-dimethoxyphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761519
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine (CID 51087630) is 1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine is CCn1c(CNC(C)c2cc(OC)ccc2OC)nc2ccccc21.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is BNXFXWPKMOVAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-23-18-9-7-6-8-17(18)22-20(23)13-21-14(2)16-12-15(24-3)10-11-19(16)25-4/h6-12,14,21H,5,13H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine?
1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 339.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 51087630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).